6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

C346H202N14O14 — CID 158787071

About 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 158787071) has the molecular formula C346H202N14O14 and a molecular weight of 4779.51 g/mol. Its IUPAC name is 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 158787071
• Molecular Formula: C346H202N14O14
• Molecular Weight: 4779.51 g/mol
• Exact Mass: 4775.55
• IUPAC Name: 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7c8oc9ccccc9c8cc8c7oc7ccccc78)c6)cnc5c4c3)cc21.c1cc(-c2ccc3oc4cc5oc6ccccc6c5cc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1cc(-c2cccc(-c3cccc4c3oc3cc5oc6ccccc6c5cc34)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)cc(-c2ccc3oc4cc5oc6ccccc6c5cc4c3c2)c1.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2cc4oc5ccccc5c4cc23)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)c4)cnc32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)c5)cnc4c3c2)cc1
• InChI: InChI=1S/C70H46N2O2.2C52H30N2O2.2C46H26N2O2.2C40H22N2O2/c1-69(2)57-20-9-5-16-47(57)49-30-26-41(35-59(49)69)39-24-28-45-46-29-25-40(42-27-31-50-48-17-6-10-21-58(48)70(3,4)60(50)36-42)34-54(46)66-65(53(45)33-39)71-38-61(72-66)43-14-13-15-44(32-43)64-67-55(51-18-7-11-22-62(51)73-67)37-56-52-19-8-12-23-63(52)74-68(56)64;1-3-12-31(13-4-1)33-22-24-37-38-25-23-34(32-14-5-2-6-15-32)28-42(38)50-49(41(37)27-33)53-30-45(54-50)35-16-11-17-36(26-35)48-51-43(39-18-7-9-20-46(39)55-51)29-44-40-19-8-10-21-47(40)56-52(44)48;1-3-12-31(13-4-1)33-22-24-39-41(27-33)42-28-34(32-14-5-2-6-15-32)23-25-40(42)50-49(39)53-30-45(54-50)35-16-11-17-36(26-35)48-51-43(37-18-7-9-20-46(37)55-51)29-44-38-19-8-10-21-47(38)56-52(44)48;1-3-17-35-32(14-1)33-15-2-4-18-36(33)45-44(35)47-26-40(48-45)30-13-8-11-28(23-30)27-10-7-12-29(22-27)31-19-9-20-37-39-24-38-34-16-5-6-21-41(34)49-42(38)25-43(39)50-46(31)37;1-3-16-35-32(13-1)33-14-2-4-17-36(33)46-45(35)47-26-40(48-46)31-12-8-11-29(22-31)27-9-7-10-28(21-27)30-19-20-42-37(23-30)39-24-38-34-15-5-6-18-41(34)49-43(38)25-44(39)50-42;1-3-14-29-26(11-1)27-12-2-4-15-30(27)39-38(29)41-22-34(42-39)24-10-7-9-23(19-24)25-16-8-17-31-33-20-32-28-13-5-6-18-35(28)43-36(32)21-37(33)44-40(25)31;1-3-13-29-26(10-1)27-11-2-4-14-30(27)40-39(29)41-22-34(42-40)25-9-7-8-23(18-25)24-16-17-36-31(19-24)33-20-32-28-12-5-6-15-35(28)43-37(32)21-38(33)44-36/h5-38H,1-4H3;2*1-30H;2*1-26H;2*1-22H
• InChIKey: IRUXDXSENCPPIU-UHFFFAOYSA-N
• XLogP: 95.43
• TPSA: 364.42 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 374
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4779.51
LogP ≤ 5	95.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 158787071) is 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3ccc4c5ccc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cc5c5nc(-c6cccc(-c7c8oc9ccccc9c8cc8c7oc7ccccc78)c6)cnc5c4c3)cc21.c1cc(-c2ccc3oc4cc5oc6ccccc6c5cc4c3c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1cc(-c2cccc(-c3cccc4c3oc3cc5oc6ccccc6c5cc34)c2)cc(-c2cnc3c4ccccc4c4ccccc4c3n2)c1.c1cc(-c2cccc(-c3cnc4c5ccccc5c5ccccc5c4n3)c2)cc(-c2ccc3oc4cc5oc6ccccc6c5cc4c3c2)c1.c1cc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc(-c2cccc3c2oc2cc4oc5ccccc5c4cc23)c1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2c2nc(-c4cccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)c4)cnc32)cc1.c1ccc(-c2ccc3c4ccc(-c5ccccc5)cc4c4nc(-c5cccc(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)c5)cnc4c3c2)cc1.

What is the InChIKey of 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is IRUXDXSENCPPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O2.2C52H30N2O2.2C46H26N2O2.2C40H22N2O2/c1-69(2)57-20-9-5-16-47(57)49-30-26-41(35-59(49)69)39-24-28-45-46-29-25-40(42-27-31-50-48-17-6-10-21-58(48)70(3,4)60(50)36-42)34-54(46)66-65(53(45)33-39)71-38-61(72-66)43-14-13-15-44(32-43)64-67-55(51-18-7-11-22-62(51)73-67)37-56-52-19-8-12-23-63(52)74-68(56)64;1-3-12-31(13-4-1)33-22-24-37-38-25-23-34(32-14-5-2-6-15-32)28-42(38)50-49(41(37)27-33)53-30-45(54-50)35-16-11-17-36(26-35)48-51-43(39-18-7-9-20-46(39)55-51)29-44-40-19-8-10-21-47(40)56-52(44)48;1-3-12-31(13-4-1)33-22-24-39-41(27-33)42-28-34(32-14-5-2-6-15-32)23-25-40(42)50-49(39)53-30-45(54-50)35-16-11-17-36(26-35)48-51-43(37-18-7-9-20-46(37)55-51)29-44-38-19-8-10-21-47(38)56-52(44)48;1-3-17-35-32(14-1)33-15-2-4-18-36(33)45-44(35)47-26-40(48-45)30-13-8-11-28(23-30)27-10-7-12-29(22-27)31-19-9-20-37-39-24-38-34-16-5-6-21-41(34)49-42(38)25-43(39)50-46(31)37;1-3-16-35-32(13-1)33-14-2-4-17-36(33)46-45(35)47-26-40(48-46)31-12-8-11-29(22-31)27-9-7-10-28(21-27)30-19-20-42-37(23-30)39-24-38-34-15-5-6-18-41(34)49-43(38)25-44(39)50-42;1-3-14-29-26(11-1)27-12-2-4-15-30(27)39-38(29)41-22-34(42-39)24-10-7-9-23(19-24)25-16-8-17-31-33-20-32-28-13-5-6-18-35(28)43-36(32)21-37(33)44-40(25)31;1-3-13-29-26(10-1)27-11-2-4-14-30(27)40-39(29)41-22-34(42-40)25-9-7-8-23(18-25)24-16-17-36-31(19-24)33-20-32-28-12-5-6-15-35(28)43-37(32)21-38(33)44-36/h5-38H,1-4H3;2*1-30H;2*1-26H;2*1-22H.

What are the key properties of 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?

6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 4779.51 g/mol, XLogP of 95.43, 22 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11-bis(9,9-dimethylfluoren-2-yl)-3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-6,11-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-7,10-diphenylphenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158787071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).