3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine

C47H34N4 — CID 130353166

IUPAC3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cn2)cc1
InChIInChI=1S/C47H34N4/c1-6-16-35(17-7-1)45-29-26-42(34-48-45)51-46-30-27-40(49(36-18-8-2-9-19-36)37-20-10-3-11-21-37)32-43(46)44-33-41(28-31-47(44)51)50(38-22-12-4-13-23-38)39-24-14-5-15-25-39/h1-34H
InChIKeyPEJFSCCTNFXMSE-UHFFFAOYSA-N
MW654.82 g/mol
LogP12.79
Rot. Bonds8

About 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine

3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine (PubChem CID 130353166) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine
PubChem CID130353166
Molecular FormulaC47H34N4
Molecular Weight654.82 g/mol
Exact Mass654.28
IUPAC Name3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine
SMILESc1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cn2)cc1
InChIInChI=1S/C47H34N4/c1-6-16-35(17-7-1)45-29-26-42(34-48-45)51-46-30-27-40(49(36-18-8-2-9-19-36)37-20-10-3-11-21-37)32-43(46)44-33-41(28-31-47(44)51)50(38-22-12-4-13-23-38)39-24-14-5-15-25-39/h1-34H
InChIKeyPEJFSCCTNFXMSE-UHFFFAOYSA-N
XLogP12.79
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.82
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,3-N,6-N,6-N-tetraphenyl-9-(2-phenylpyrimidin-5-yl)carbazole-3,6-diamine
CID 135252762
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-[4-(5-carbazol-9-yl-2-pyridinyl)phenyl]-2-ethyl-N-phenylaniline
CID 143088752
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 135252863
N-phenyl-4-(4-phenylphenyl)-N-[4-[6-phenyl-9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]phenyl]aniline
CID 122524703
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
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,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
3-N,3-N,6-N,6-N-tetraphenyl-9-[2-[4-(6-phenyl-2-pyridinyl)phenyl]phenyl]carbazole-3,6-diamine
CID 138675153
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine (CID 130353166) is 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine is c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cn2)cc1.
What is the InChIKey of 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine?
The InChIKey is PEJFSCCTNFXMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-6-16-35(17-7-1)45-29-26-42(34-48-45)51-46-30-27-40(49(36-18-8-2-9-19-36)37-20-10-3-11-21-37)32-43(46)44-33-41(28-31-47(44)51)50(38-22-12-4-13-23-38)39-24-14-5-15-25-39/h1-34H.
What are the key properties of 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine?
3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine has a molecular weight of 654.82 g/mol, XLogP of 12.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N,6-N-tetraphenyl-9-(6-phenyl-3-pyridinyl)carbazole-3,6-diamine is sourced from PubChem (CID 130353166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).