3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

C90H62N6 — CID 88673333

IUPAC3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C90H62N6/c1-4-22-67(23-5-1)91(70-48-40-63(41-49-70)65-44-52-73(53-45-65)94-85-34-16-10-28-79(85)80-29-11-17-35-86(80)94)76-60-77(62-78(61-76)93(69-26-8-3-9-27-69)72-56-58-75(59-57-72)96-89-38-20-14-32-83(89)84-33-15-21-39-90(84)96)92(68-24-6-2-7-25-68)71-50-42-64(43-51-71)66-46-54-74(55-47-66)95-87-36-18-12-30-81(87)82-31-13-19-37-88(82)95/h1-62H
InChIKeyDSLBHSLCIBGMRR-UHFFFAOYSA-N
MW1227.53 g/mol
LogP24.72
Rot. Bonds14

About 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine

3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (PubChem CID 88673333) has the molecular formula C90H62N6 and a molecular weight of 1227.53 g/mol. Its IUPAC name is 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.

Molecular Properties

Compound Name3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
PubChem CID88673333
Molecular FormulaC90H62N6
Molecular Weight1227.53 g/mol
Exact Mass1226.50
IUPAC Name3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
SMILESc1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1
InChIInChI=1S/C90H62N6/c1-4-22-67(23-5-1)91(70-48-40-63(41-49-70)65-44-52-73(53-45-65)94-85-34-16-10-28-79(85)80-29-11-17-35-86(80)94)76-60-77(62-78(61-76)93(69-26-8-3-9-27-69)72-56-58-75(59-57-72)96-89-38-20-14-32-83(89)84-33-15-21-39-90(84)96)92(68-24-6-2-7-25-68)71-50-42-64(43-51-71)66-46-54-74(55-47-66)95-87-36-18-12-30-81(87)82-31-13-19-37-88(82)95/h1-62H
InChIKeyDSLBHSLCIBGMRR-UHFFFAOYSA-N
XLogP24.72
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001227.53
LogP ≤ 524.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine with MolForge

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Related Compounds

4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
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N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
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N,4-bis(4-carbazol-9-ylphenyl)-N-[4-(4-carbazol-9-ylphenyl)phenyl]aniline
CID 20608008
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
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N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
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CID 129175640

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The IUPAC name of 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine (CID 88673333) is 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine.
What is the SMILES notation for 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The canonical SMILES for 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is c1ccc(N(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)c2cc(N(c3ccccc3)c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.
What is the InChIKey of 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
The InChIKey is DSLBHSLCIBGMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H62N6/c1-4-22-67(23-5-1)91(70-48-40-63(41-49-70)65-44-52-73(53-45-65)94-85-34-16-10-28-79(85)80-29-11-17-35-86(80)94)76-60-77(62-78(61-76)93(69-26-8-3-9-27-69)72-56-58-75(59-57-72)96-89-38-20-14-32-83(89)84-33-15-21-39-90(84)96)92(68-24-6-2-7-25-68)71-50-42-64(43-51-71)66-46-54-74(55-47-66)95-87-36-18-12-30-81(87)82-31-13-19-37-88(82)95/h1-62H.
What are the key properties of 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine?
3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine has a molecular weight of 1227.53 g/mol, XLogP of 24.72, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-carbazol-9-ylphenyl)-1-N,5-N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine is sourced from PubChem (CID 88673333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).