13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

C209H136N16 — CID 158528646

IUPAC13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2cc(N3c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cccc3c54)ccc2-c2ccc(N3c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cccc3c54)cc21.Cc1cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)ccc1-c1ccc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)cc1C.c1cc(-c2cccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1.c1cc(-c2cccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1
InChIInChI=1S/C63H42N4.C50H34N4.2C48H30N4/c1-63(2)51-37-43(64-55-21-9-11-23-57(55)66-53-33-27-41(39-15-5-3-6-16-39)35-49(53)47-19-13-25-59(64)61(47)66)29-31-45(51)46-32-30-44(38-52(46)63)65-56-22-10-12-24-58(56)67-54-34-28-42(40-17-7-4-8-18-40)36-50(54)48-20-14-26-60(65)62(48)67;1-31-29-33(51-43-19-7-9-21-45(43)53-41-17-5-3-13-37(41)39-15-11-23-47(51)49(39)53)25-27-35(31)36-28-26-34(30-32(36)2)52-44-20-8-10-22-46(44)54-42-18-6-4-14-38(42)40-16-12-24-48(52)50(40)54;2*1-3-21-39-35(17-1)37-19-11-27-45-47(37)51(39)43-25-7-5-23-41(43)49(45)33-15-9-13-31(29-33)32-14-10-16-34(30-32)50-42-24-6-8-26-44(42)52-40-22-4-2-18-36(40)38-20-12-28-46(50)48(38)52/h3-38H,1-2H3;3-30H,1-2H3;2*1-30H
InChIKeyHNCAXKWOAAUYNF-UHFFFAOYSA-N
MW2871.50 g/mol
LogP57.05
Rot. Bonds13

About 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene

13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (PubChem CID 158528646) has the molecular formula C209H136N16 and a molecular weight of 2871.50 g/mol. Its IUPAC name is 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
PubChem CID158528646
Molecular FormulaC209H136N16
Molecular Weight2871.50 g/mol
Exact Mass2869.11
IUPAC Name13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
SMILESCC1(C)c2cc(N3c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cccc3c54)ccc2-c2ccc(N3c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cccc3c54)cc21.Cc1cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)ccc1-c1ccc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)cc1C.c1cc(-c2cccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1.c1cc(-c2cccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1
InChIInChI=1S/C63H42N4.C50H34N4.2C48H30N4/c1-63(2)51-37-43(64-55-21-9-11-23-57(55)66-53-33-27-41(39-15-5-3-6-16-39)35-49(53)47-19-13-25-59(64)61(47)66)29-31-45(51)46-32-30-44(38-52(46)63)65-56-22-10-12-24-58(56)67-54-34-28-42(40-17-7-4-8-18-40)36-50(54)48-20-14-26-60(65)62(48)67;1-31-29-33(51-43-19-7-9-21-45(43)53-41-17-5-3-13-37(41)39-15-11-23-47(51)49(39)53)25-27-35(31)36-28-26-34(30-32(36)2)52-44-20-8-10-22-46(44)54-42-18-6-4-14-38(42)40-16-12-24-48(52)50(40)54;2*1-3-21-39-35(17-1)37-19-11-27-45-47(37)51(39)43-25-7-5-23-41(43)49(45)33-15-9-13-31(29-33)32-14-10-16-34(30-32)50-42-24-6-8-26-44(42)52-40-22-4-2-18-36(40)38-20-12-28-46(50)48(38)52/h3-38H,1-2H3;3-30H,1-2H3;2*1-30H
InChIKeyHNCAXKWOAAUYNF-UHFFFAOYSA-N
XLogP57.05
TPSA65.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002871.50
LogP ≤ 557.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

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CID 163801693
24,24-dimethyl-7,18-bis(9-phenylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
CID 170651849
7-(9,9-dimethylfluoren-2-yl)-24,24-dimethyl-18-(9-naphthalen-1-ylcarbazol-1-yl)-7,18-diazahexacyclo[17.3.1.12,6.13,22.18,12.113,17]heptacosa-1(22),2,4,6(27),8,10,12(26),13(25),14,16,19(23),20-dodecaene
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3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
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5-(9,9-dimethylfluoren-2-yl)-7-[3-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole
CID 122595609
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
CID 118475086
7,7-dimethyl-5-[9-(3-phenylphenyl)carbazol-1-yl]indeno[2,1-b]carbazole
CID 89472229
4-(9,9-dimethylfluoren-2-yl)-22-phenyl-4,15,22-triazaheptacyclo[13.11.1.02,14.03,11.05,10.016,21.023,27]heptacosa-1(27),2(14),3(11),5,7,9,12,16,18,20,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-20-phenyl-1,11,20-triazaheptacyclo[13.11.1.02,14.04,12.05,10.019,27.021,26]heptacosa-2(14),3,5,7,9,12,15(27),16,18,21,23,25-dodecaene;11-(9,9-dimethylfluoren-2-yl)-22-phenyl-11,15,22-triazaheptacyclo[13.11.1.02,14.04,12.05,10.016,21.023,27]heptacosa-1(27),2(14),3,5,7,9,12,16,18,20,23,25-dodecaene
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10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
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3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922

Frequently Asked Questions

What is the IUPAC name of 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene (CID 158528646) is 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is CC1(C)c2cc(N3c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cccc3c54)ccc2-c2ccc(N3c4ccccc4-n4c5ccc(-c6ccccc6)cc5c5cccc3c54)cc21.Cc1cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)ccc1-c1ccc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)cc1C.c1cc(-c2cccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1.c1cc(-c2cccc(N3c4ccccc4-n4c5ccccc5c5cccc3c54)c2)cc(N2c3ccccc3-n3c4ccccc4c4cccc2c43)c1.
What is the InChIKey of 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
The InChIKey is HNCAXKWOAAUYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4.C50H34N4.2C48H30N4/c1-63(2)51-37-43(64-55-21-9-11-23-57(55)66-53-33-27-41(39-15-5-3-6-16-39)35-49(53)47-19-13-25-59(64)61(47)66)29-31-45(51)46-32-30-44(38-52(46)63)65-56-22-10-12-24-58(56)67-54-34-28-42(40-17-7-4-8-18-40)36-50(54)48-20-14-26-60(65)62(48)67;1-31-29-33(51-43-19-7-9-21-45(43)53-41-17-5-3-13-37(41)39-15-11-23-47(51)49(39)53)25-27-35(31)36-28-26-34(30-32(36)2)52-44-20-8-10-22-46(44)54-42-18-6-4-14-38(42)40-16-12-24-48(52)50(40)54;2*1-3-21-39-35(17-1)37-19-11-27-45-47(37)51(39)43-25-7-5-23-41(43)49(45)33-15-9-13-31(29-33)32-14-10-16-34(30-32)50-42-24-6-8-26-44(42)52-40-22-4-2-18-36(40)38-20-12-28-46(50)48(38)52/h3-38H,1-2H3;3-30H,1-2H3;2*1-30H.
What are the key properties of 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene?
13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene has a molecular weight of 2871.50 g/mol, XLogP of 57.05, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[4-[4-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)-2-methylphenyl]-3-methylphenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene;bis(13-[3-[3-(1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaen-13-yl)phenyl]phenyl]-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene);13-[9,9-dimethyl-7-(5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl)fluoren-2-yl]-5-phenyl-1,13-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 158528646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).