9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine

C76H52N8 — CID 126631519

IUPAC9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4cc(-n5c6ccccc6c6ccc(N(c7ccccc7)c7ccccc7)cc65)nc(-n5c6ccccc6c6ccc(N(c7ccccc7)c7ccccc7)cc65)n4)c3c2)cc1
InChIInChI=1S/C76H52N8/c1-7-25-53(26-8-1)79(54-27-9-2-10-28-54)59-43-46-65-62-37-19-22-40-68(62)82(71(65)49-59)74-52-75(83-69-41-23-20-38-63(69)66-47-44-60(50-72(66)83)80(55-29-11-3-12-30-55)56-31-13-4-14-32-56)78-76(77-74)84-70-42-24-21-39-64(70)67-48-45-61(51-73(67)84)81(57-33-15-5-16-34-57)58-35-17-6-18-36-58/h1-52H
InChIKeyYOLCWQNOESBRAR-UHFFFAOYSA-N
MW1077.31 g/mol
LogP20.18
Rot. Bonds12

About 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine

9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine (PubChem CID 126631519) has the molecular formula C76H52N8 and a molecular weight of 1077.31 g/mol. Its IUPAC name is 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine.

Molecular Properties

Compound Name9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
PubChem CID126631519
Molecular FormulaC76H52N8
Molecular Weight1077.31 g/mol
Exact Mass1076.43
IUPAC Name9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4cc(-n5c6ccccc6c6ccc(N(c7ccccc7)c7ccccc7)cc65)nc(-n5c6ccccc6c6ccc(N(c7ccccc7)c7ccccc7)cc65)n4)c3c2)cc1
InChIInChI=1S/C76H52N8/c1-7-25-53(26-8-1)79(54-27-9-2-10-28-54)59-43-46-65-62-37-19-22-40-68(62)82(71(65)49-59)74-52-75(83-69-41-23-20-38-63(69)66-47-44-60(50-72(66)83)80(55-29-11-3-12-30-55)56-31-13-4-14-32-56)78-76(77-74)84-70-42-24-21-39-64(70)67-48-45-61(51-73(67)84)81(57-33-15-5-16-34-57)58-35-17-6-18-36-58/h1-52H
InChIKeyYOLCWQNOESBRAR-UHFFFAOYSA-N
XLogP20.18
TPSA50.29 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001077.31
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine with MolForge

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Related Compounds

9-(4-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine
CID 126631511
7-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-(3-dibenzofuran-2-ylcarbazol-9-yl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]carbazole;9-[6-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine
CID 161327253
2-N,4-N-diphenyl-6-[2-(N-phenylanilino)carbazol-9-yl]-2-N,4-N-bis(9-phenylcarbazol-3-yl)pyrimidine-2,4-diamine
CID 126631523
N-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 164807780
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)indolo[2,3-b]carbazol-3-amine
CID 122461290
9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351084
9-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 90351080
7-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-2-amine
CID 138549065
3-[5-(6-carbazol-9-yl-2-pyridinyl)indolo[2,3-b]carbazol-7-yl]-N,N-diphenylaniline
CID 118504606
9-[2,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole;9-[4,6-bis[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 158402871
5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159211280

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine?
The IUPAC name of 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine (CID 126631519) is 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine.
What is the SMILES notation for 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine?
The canonical SMILES for 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine is c1ccc(N(c2ccccc2)c2ccc3c4ccccc4n(-c4cc(-n5c6ccccc6c6ccc(N(c7ccccc7)c7ccccc7)cc65)nc(-n5c6ccccc6c6ccc(N(c7ccccc7)c7ccccc7)cc65)n4)c3c2)cc1.
What is the InChIKey of 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine?
The InChIKey is YOLCWQNOESBRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N8/c1-7-25-53(26-8-1)79(54-27-9-2-10-28-54)59-43-46-65-62-37-19-22-40-68(62)82(71(65)49-59)74-52-75(83-69-41-23-20-38-63(69)66-47-44-60(50-72(66)83)80(55-29-11-3-12-30-55)56-31-13-4-14-32-56)78-76(77-74)84-70-42-24-21-39-64(70)67-48-45-61(51-73(67)84)81(57-33-15-5-16-34-57)58-35-17-6-18-36-58/h1-52H.
What are the key properties of 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine?
9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine has a molecular weight of 1077.31 g/mol, XLogP of 20.18, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis[2-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-2-amine is sourced from PubChem (CID 126631519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).