9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine

C48H33N5 — CID 162149861

IUPAC9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nc3ncc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C48H33N5/c1-5-15-35(16-6-1)46-47(36-17-7-2-8-18-36)51-33-37(32-49-48(51)50-46)34-25-27-40(28-26-34)53-44-24-14-13-23-42(44)43-31-41(29-30-45(43)53)52(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H
InChIKeySLNIRCOPVNUFEG-UHFFFAOYSA-N
MW679.83 g/mol
LogP12.30
Rot. Bonds7

About 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine

9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine (PubChem CID 162149861) has the molecular formula C48H33N5 and a molecular weight of 679.83 g/mol. Its IUPAC name is 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine
PubChem CID162149861
Molecular FormulaC48H33N5
Molecular Weight679.83 g/mol
Exact Mass679.27
IUPAC Name9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine
SMILESc1ccc(-c2nc3ncc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C48H33N5/c1-5-15-35(16-6-1)46-47(36-17-7-2-8-18-36)51-33-37(32-49-48(51)50-46)34-25-27-40(28-26-34)53-44-24-14-13-23-42(44)43-31-41(29-30-45(43)53)52(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H
InChIKeySLNIRCOPVNUFEG-UHFFFAOYSA-N
XLogP12.30
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.83
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 162149863
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-3,6-dimethylcarbazole
CID 161395332
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)carbazole
CID 160731733
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
9-phenyl-N-[4-[4-[N-(9-phenylcarbazol-3-yl)-3-(3-phenylimidazo[1,2-a]pyridin-2-yl)anilino]phenyl]phenyl]-N-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]carbazol-3-amine
CID 167376746
N,9-diphenyl-N-[4-(3-phenylpyrazin-2-yl)phenyl]carbazol-3-amine
CID 58921964
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
9-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-N,N-diphenylcarbazol-3-amine
CID 135252863
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
The IUPAC name of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine (CID 162149861) is 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
The canonical SMILES for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine is c1ccc(-c2nc3ncc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccccc7)ccc65)cc4)cn3c2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
The InChIKey is SLNIRCOPVNUFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5/c1-5-15-35(16-6-1)46-47(36-17-7-2-8-18-36)51-33-37(32-49-48(51)50-46)34-25-27-40(28-26-34)53-44-24-14-13-23-42(44)43-31-41(29-30-45(43)53)52(38-19-9-3-10-20-38)39-21-11-4-12-22-39/h1-33H.
What are the key properties of 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine?
9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine has a molecular weight of 679.83 g/mol, XLogP of 12.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]-N,N-diphenylcarbazol-3-amine is sourced from PubChem (CID 162149861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).