N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene

C112H73N7 — CID 158069136

IUPACN-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5c5ncccc5c4c4ccccc34)cc21.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6c6ncccc6c5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccc(-c3cc4c5ccccc5c5ncccc5c4c4ccccc34)cc2)c2ccccn2)nc1
InChIInChI=1S/C39H24N2.C37H24N4.C36H25N/c1-2-11-26(12-3-1)41-36-19-9-8-15-29(36)34-23-25(20-21-37(34)41)33-24-35-28-14-5-7-17-31(28)39-32(18-10-22-40-39)38(35)30-16-6-4-13-27(30)33;1-3-12-29-27(10-1)32(24-33-28-11-2-4-13-30(28)37-31(36(29)33)14-9-23-40-37)25-17-19-26(20-18-25)41(34-15-5-7-21-38-34)35-16-6-8-22-39-35;1-36(2)32-16-8-7-12-25(32)26-18-17-22(20-33(26)36)30-21-31-24-11-4-6-14-28(24)35-29(15-9-19-37-35)34(31)27-13-5-3-10-23(27)30/h2*1-24H;3-21H,1-2H3
InChIKeyFLPLTISXAMJEJG-UHFFFAOYSA-N
MW1516.86 g/mol
LogP29.75
Rot. Bonds7

About N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene

N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene (PubChem CID 158069136) has the molecular formula C112H73N7 and a molecular weight of 1516.86 g/mol. Its IUPAC name is N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene.

Molecular Properties

Compound NameN-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
PubChem CID158069136
Molecular FormulaC112H73N7
Molecular Weight1516.86 g/mol
Exact Mass1515.59
IUPAC NameN-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5c5ncccc5c4c4ccccc34)cc21.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6c6ncccc6c5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccc(-c3cc4c5ccccc5c5ncccc5c4c4ccccc34)cc2)c2ccccn2)nc1
InChIInChI=1S/C39H24N2.C37H24N4.C36H25N/c1-2-11-26(12-3-1)41-36-19-9-8-15-29(36)34-23-25(20-21-37(34)41)33-24-35-28-14-5-7-17-31(28)39-32(18-10-22-40-39)38(35)30-16-6-4-13-27(30)33;1-3-12-29-27(10-1)32(24-33-28-11-2-4-13-30(28)37-31(36(29)33)14-9-23-40-37)25-17-19-26(20-18-25)41(34-15-5-7-21-38-34)35-16-6-8-22-39-35;1-36(2)32-16-8-7-12-25(32)26-18-17-22(20-33(26)36)30-21-31-24-11-4-6-14-28(24)35-29(15-9-19-37-35)34(31)27-13-5-3-10-23(27)30/h2*1-24H;3-21H,1-2H3
InChIKeyFLPLTISXAMJEJG-UHFFFAOYSA-N
XLogP29.75
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001516.86
LogP ≤ 529.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine;methane
CID 160706039
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]quinolin-6-amine
CID 129201041
9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 67964234
9-(4-carbazol-9-ylphenyl)-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaene;16-(9,9-dimethylfluoren-2-yl)-9-phenyl-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;N-[4-(9-phenyl-5,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 159556485
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]triphenylen-2-amine
CID 88556147
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine
CID 159845572
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene?
The IUPAC name of N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene (CID 158069136) is N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene.
What is the SMILES notation for N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene?
The canonical SMILES for N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene is CC1(C)c2ccccc2-c2ccc(-c3cc4c5ccccc5c5ncccc5c4c4ccccc34)cc21.c1ccc(-n2c3ccccc3c3cc(-c4cc5c6ccccc6c6ncccc6c5c5ccccc45)ccc32)cc1.c1ccc(N(c2ccc(-c3cc4c5ccccc5c5ncccc5c4c4ccccc34)cc2)c2ccccn2)nc1.
What is the InChIKey of N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene?
The InChIKey is FLPLTISXAMJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N2.C37H24N4.C36H25N/c1-2-11-26(12-3-1)41-36-19-9-8-15-29(36)34-23-25(20-21-37(34)41)33-24-35-28-14-5-7-17-31(28)39-32(18-10-22-40-39)38(35)30-16-6-4-13-27(30)33;1-3-12-29-27(10-1)32(24-33-28-11-2-4-13-30(28)37-31(36(29)33)14-9-23-40-37)25-17-19-26(20-18-25)41(34-15-5-7-21-38-34)35-16-6-8-22-39-35;1-36(2)32-16-8-7-12-25(32)26-18-17-22(20-33(26)36)30-21-31-24-11-4-6-14-28(24)35-29(15-9-19-37-35)34(31)27-13-5-3-10-23(27)30/h2*1-24H;3-21H,1-2H3.
What are the key properties of N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene?
N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene has a molecular weight of 1516.86 g/mol, XLogP of 29.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaen-21-yl)phenyl]-N-pyridin-2-ylpyridin-2-amine;21-(9,9-dimethylfluoren-2-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene;21-(9-phenylcarbazol-3-yl)-9-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene is sourced from PubChem (CID 158069136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).