3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine

C232H144N8O8 — CID 159375372

About 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine

3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159375372) has the molecular formula C232H144N8O8 and a molecular weight of 3171.75 g/mol. Its IUPAC name is 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 159375372
• Molecular Formula: C232H144N8O8
• Molecular Weight: 3171.75 g/mol
• Exact Mass: 3169.11
• IUPAC Name: 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3c4oc5ccccc5c4cc4c3oc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cc6oc7c(-c8cccc(-c9cnc%10c%11ccccc%11c%11ccccc%11c%10n9)c8)cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7c6cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3cc5oc6c(-c7cccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)c7)cccc6c5cc34)cc21.c1ccc(-c2cccc3c2oc2c(-c4ccccc4)c4oc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cccc5c4cc23)cc1
• InChI: InChI=1S/C70H46N2O2.2C55H34N2O2.C52H30N2O2/c1-69(2)58-22-11-9-18-47(58)49-27-24-40(34-60(49)69)39-26-29-63-54(31-39)55-36-56-57-33-44(41-25-28-50-48-19-10-12-23-59(48)70(3,4)61(50)35-41)32-53(68(57)74-65(56)37-64(55)73-63)42-14-13-15-43(30-42)62-38-71-66-51-20-7-5-16-45(51)46-17-6-8-21-52(46)67(66)72-62;1-55(2)45-23-9-7-17-37(45)38-26-25-33(28-46(38)55)49-53-43(39-18-8-10-24-48(39)58-53)29-44-42-22-12-21-34(52(42)59-54(44)49)31-13-11-14-32(27-31)47-30-56-50-40-19-5-3-15-35(40)36-16-4-6-20-41(36)51(50)57-47;1-55(2)46-23-8-7-16-38(46)39-25-24-32(27-47(39)55)35-20-11-22-43-45-28-44-42-21-10-19-34(53(42)58-49(44)29-50(45)59-54(35)43)31-12-9-13-33(26-31)48-30-56-51-40-17-5-3-14-36(40)37-15-4-6-18-41(37)52(51)57-48;1-3-14-31(15-4-1)35-24-12-26-41-43-29-44-42-27-13-25-36(50(42)56-52(44)46(51(43)55-49(35)41)32-16-5-2-6-17-32)33-18-11-19-34(28-33)45-30-53-47-39-22-9-7-20-37(39)38-21-8-10-23-40(38)48(47)54-45/h5-38H,1-4H3;2*3-30H,1-2H3;1-30H
• InChIKey: LKGAYNVTSSYWMP-UHFFFAOYSA-N
• XLogP: 63.50
• TPSA: 208.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 248
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3171.75
LogP ≤ 5	63.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine (CID 159375372) is 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3c4oc5ccccc5c4cc4c3oc3c(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc5cc6oc7c(-c8cccc(-c9cnc%10c%11ccccc%11c%11ccccc%11c%10n9)c8)cc(-c8ccc9c(c8)C(C)(C)c8ccccc8-9)cc7c6cc5c4c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3cc5oc6c(-c7cccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)c7)cccc6c5cc34)cc21.c1ccc(-c2cccc3c2oc2c(-c4ccccc4)c4oc5c(-c6cccc(-c7cnc8c9ccccc9c9ccccc9c8n7)c6)cccc5c4cc23)cc1.

What is the InChIKey of 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is LKGAYNVTSSYWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O2.2C55H34N2O2.C52H30N2O2/c1-69(2)58-22-11-9-18-47(58)49-27-24-40(34-60(49)69)39-26-29-63-54(31-39)55-36-56-57-33-44(41-25-28-50-48-19-10-12-23-59(48)70(3,4)61(50)35-41)32-53(68(57)74-65(56)37-64(55)73-63)42-14-13-15-43(30-42)62-38-71-66-51-20-7-5-16-45(51)46-17-6-8-21-52(46)67(66)72-62;1-55(2)45-23-9-7-17-37(45)38-26-25-33(28-46(38)55)49-53-43(39-18-8-10-24-48(39)58-53)29-44-42-22-12-21-34(52(42)59-54(44)49)31-13-11-14-32(27-31)47-30-56-50-40-19-5-3-15-35(40)36-16-4-6-20-41(36)51(50)57-47;1-55(2)46-23-8-7-16-38(46)39-25-24-32(27-47(39)55)35-20-11-22-43-45-28-44-42-21-10-19-34(53(42)58-49(44)29-50(45)59-54(35)43)31-12-9-13-33(26-31)48-30-56-51-40-17-5-3-14-36(40)37-15-4-6-18-41(37)52(51)57-48;1-3-14-31(15-4-1)35-24-12-26-41-43-29-44-42-27-13-25-36(50(42)56-52(44)46(51(43)55-49(35)41)32-16-5-2-6-17-32)33-18-11-19-34(28-33)45-30-53-47-39-22-9-7-20-37(39)38-21-8-10-23-40(38)48(47)54-45/h5-38H,1-4H3;2*3-30H,1-2H3;1-30H.

What are the key properties of 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine?

3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 3171.75 g/mol, XLogP of 63.50, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[6,18-bis(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[12-(9,9-dimethylfluoren-2-yl)-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-[16-(9,9-dimethylfluoren-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-(12,16-diphenyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-8-yl)phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159375372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).