3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine

C64H47N7 — CID 59844205

IUPAC3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cn5)ccc3n4-c3ccccc3)nc2)cc1
InChIInChI=1S/C64H47N7/c1-8-22-48(23-9-1)67(49-24-10-2-11-25-49)57-38-42-63(65-46-57)69(52-30-16-5-17-31-52)55-36-40-61-59(44-55)60-45-56(37-41-62(60)71(61)54-34-20-7-21-35-54)70(53-32-18-6-19-33-53)64-43-39-58(47-66-64)68(50-26-12-3-13-27-50)51-28-14-4-15-29-51/h1-47H
InChIKeyJMLCOQCCDMYSOT-UHFFFAOYSA-N
MW914.13 g/mol
LogP17.45
Rot. Bonds13

About 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine

3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine (PubChem CID 59844205) has the molecular formula C64H47N7 and a molecular weight of 914.13 g/mol. Its IUPAC name is 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine
PubChem CID59844205
Molecular FormulaC64H47N7
Molecular Weight914.13 g/mol
Exact Mass913.39
IUPAC Name3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cn5)ccc3n4-c3ccccc3)nc2)cc1
InChIInChI=1S/C64H47N7/c1-8-22-48(23-9-1)67(49-24-10-2-11-25-49)57-38-42-63(65-46-57)69(52-30-16-5-17-31-52)55-36-40-61-59(44-55)60-45-56(37-41-62(60)71(61)54-34-20-7-21-35-54)70(53-32-18-6-19-33-53)64-43-39-58(47-66-64)68(50-26-12-3-13-27-50)51-28-14-4-15-29-51/h1-47H
InChIKeyJMLCOQCCDMYSOT-UHFFFAOYSA-N
XLogP17.45
TPSA43.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.13
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(5-carbazol-9-ylpyrimidin-2-yl)pyrimidin-5-yl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 163795809
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
CID 135252762
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
CID 172537557
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357
9-phenyl-3-N,6-N-bis[4-(N-phenylanilino)phenyl]-3-N,6-N-di(quinolin-5-yl)carbazole-3,6-diamine
CID 59844236
3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine
CID 130353166
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine?
The IUPAC name of 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine (CID 59844205) is 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine is c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)c3cc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cn5)ccc3n4-c3ccccc3)nc2)cc1.
What is the InChIKey of 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine?
The InChIKey is JMLCOQCCDMYSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N7/c1-8-22-48(23-9-1)67(49-24-10-2-11-25-49)57-38-42-63(65-46-57)69(52-30-16-5-17-31-52)55-36-40-61-59(44-55)60-45-56(37-41-62(60)71(61)54-34-20-7-21-35-54)70(53-32-18-6-19-33-53)64-43-39-58(47-66-64)68(50-26-12-3-13-27-50)51-28-14-4-15-29-51/h1-47H.
What are the key properties of 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine?
3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine has a molecular weight of 914.13 g/mol, XLogP of 17.45, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N,9-triphenyl-3-N,6-N-bis[5-(N-phenylanilino)-2-pyridinyl]carbazole-3,6-diamine is sourced from PubChem (CID 59844205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).