7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole

C47H29N5 — CID 118637829

IUPAC7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5ccccc5)ccc43)nc3ncccc23)cc1
InChIInChI=1S/C47H29N5/c1-3-14-30(15-4-1)45-37-22-13-27-48-46(37)50-47(49-45)52-40-23-11-9-19-34(40)39-28-31(25-26-42(39)52)38-29-43-44(35-20-8-7-18-33(35)38)36-21-10-12-24-41(36)51(43)32-16-5-2-6-17-32/h1-29H
InChIKeyBUXOBQFNHMMAAS-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole

7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole (PubChem CID 118637829) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole
PubChem CID118637829
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5ccccc5)ccc43)nc3ncccc23)cc1
InChIInChI=1S/C47H29N5/c1-3-14-30(15-4-1)45-37-22-13-27-48-46(37)50-47(49-45)52-40-23-11-9-19-34(40)39-28-31(25-26-42(39)52)38-29-43-44(35-20-8-7-18-33(35)38)36-21-10-12-24-41(36)51(43)32-16-5-2-6-17-32/h1-29H
InChIKeyBUXOBQFNHMMAAS-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole 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

5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole
CID 118637586
7-phenyl-5-[9-[4-(4-phenylphenyl)-1,3-diazecin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637729
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
5-naphthalen-1-yl-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;5-phenyl-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;trimethyl-[7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazol-5-yl]silane
CID 158180027
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
4-(9-phenylcarbazol-3-yl)-9-[4-phenyl-6-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazole
CID 137470533
7-[4-[2-[(1Z)-buta-1,3-dienyl]-5-phenylphenyl]quinazolin-2-yl]-5-(9-phenylcarbazol-3-yl)benzo[c]carbazole
CID 118637774

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole?
The IUPAC name of 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole (CID 118637829) is 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5cc6c(c7ccccc57)c5ccccc5n6-c5ccccc5)ccc43)nc3ncccc23)cc1.
What is the InChIKey of 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole?
The InChIKey is BUXOBQFNHMMAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-14-30(15-4-1)45-37-22-13-27-48-46(37)50-47(49-45)52-40-23-11-9-19-34(40)39-28-31(25-26-42(39)52)38-29-43-44(35-20-8-7-18-33(35)38)36-21-10-12-24-41(36)51(43)32-16-5-2-6-17-32/h1-29H.
What are the key properties of 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole?
7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole has a molecular weight of 663.78 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 118637829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).