5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine

C52H36N4 — CID 145110377

IUPAC5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ncccn4)cc3)c3ccc4c(c3)c3c(-c5ccccc5)ccc(-c5ccccc5)c3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H36N4/c1-5-14-37(15-6-1)38-22-26-43(27-23-38)55(44-28-24-41(25-29-44)52-53-34-13-35-54-52)45-30-33-49-48(36-45)50-46(39-16-7-2-8-17-39)31-32-47(40-18-9-3-10-19-40)51(50)56(49)42-20-11-4-12-21-42/h1-36H
InChIKeyRYQPVQGPLFXVTC-UHFFFAOYSA-N
MW716.89 g/mol
LogP13.71
Rot. Bonds8

About 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine

5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine (PubChem CID 145110377) has the molecular formula C52H36N4 and a molecular weight of 716.89 g/mol. Its IUPAC name is 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine
PubChem CID145110377
Molecular FormulaC52H36N4
Molecular Weight716.89 g/mol
Exact Mass716.29
IUPAC Name5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ncccn4)cc3)c3ccc4c(c3)c3c(-c5ccccc5)ccc(-c5ccccc5)c3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H36N4/c1-5-14-37(15-6-1)38-22-26-43(27-23-38)55(44-28-24-41(25-29-44)52-53-34-13-35-54-52)45-30-33-49-48(36-45)50-46(39-16-7-2-8-17-39)31-32-47(40-18-9-3-10-19-40)51(50)56(49)42-20-11-4-12-21-42/h1-36H
InChIKeyRYQPVQGPLFXVTC-UHFFFAOYSA-N
XLogP13.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.89
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,9-diphenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 169009894
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659999
3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
4-phenyl-N-(4-phenylphenyl)-N-[4-(3,8,11,12-tetraphenylindolo[2,3-a]carbazol-5-yl)phenyl]aniline
CID 90126284
N,N-diphenyl-9-[4-[3-[4-[3-(N-phenylanilino)carbazol-9-yl]phenyl]-5-pyrimidin-2-ylphenyl]phenyl]carbazol-3-amine
CID 130353343
1,4,9-triphenyl-6-(5,8,9-triphenylcarbazol-1-yl)carbazole
CID 121449215
1,10-diphenyl-N-(4-pyridin-4-ylphenyl)-N-(4-pyrimidin-2-ylphenyl)pyrrolo[2,3-a]carbazol-7-amine
CID 90060886
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624
N-(6,9-diphenylcarbazol-3-yl)-5,9-diphenyl-N-(3-phenylphenyl)carbazol-3-amine
CID 169010447
N-naphthalen-2-yl-6-phenyl-N,11-bis(4-phenylphenyl)benzo[a]carbazol-8-amine
CID 174306026
N-[3-[2,6-bis[3-[4-(9-phenylcarbazol-1-yl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]pyrimidin-4-yl]phenyl]-9-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]carbazol-3-amine
CID 126631752
N-[4-(4,5-dihydropyrimidin-2-yl)phenyl]-4-[4-(3,9-diphenylcarbazol-1-yl)phenyl]-N-(4-pyrimidin-2-ylphenyl)aniline
CID 145110367

Frequently Asked Questions

What is the IUPAC name of 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine?
The IUPAC name of 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine (CID 145110377) is 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine.
What is the SMILES notation for 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine?
The canonical SMILES for 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ncccn4)cc3)c3ccc4c(c3)c3c(-c5ccccc5)ccc(-c5ccccc5)c3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine?
The InChIKey is RYQPVQGPLFXVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4/c1-5-14-37(15-6-1)38-22-26-43(27-23-38)55(44-28-24-41(25-29-44)52-53-34-13-35-54-52)45-30-33-49-48(36-45)50-46(39-16-7-2-8-17-39)31-32-47(40-18-9-3-10-19-40)51(50)56(49)42-20-11-4-12-21-42/h1-36H.
What are the key properties of 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine?
5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine has a molecular weight of 716.89 g/mol, XLogP of 13.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,9-triphenyl-N-(4-phenylphenyl)-N-(4-pyrimidin-2-ylphenyl)carbazol-3-amine is sourced from PubChem (CID 145110377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).