5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole

C43H27N5 — CID 129221822

IUPAC5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5ccc6c7ncccc7n(-c7ccccc7)c6c5)cccc43)nc3ccccc23)cc1
InChIInChI=1S/C43H27N5/c1-3-13-28(14-4-1)41-32-17-7-9-20-35(32)45-43(46-41)48-36-21-10-8-18-33(36)40-31(19-11-22-37(40)48)29-24-25-34-39(27-29)47(30-15-5-2-6-16-30)38-23-12-26-44-42(34)38/h1-27H
InChIKeyHOLCREMVCXCVKM-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.55
Rot. Bonds4

About 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole

5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole (PubChem CID 129221822) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
PubChem CID129221822
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c(-c5ccc6c7ncccc7n(-c7ccccc7)c6c5)cccc43)nc3ccccc23)cc1
InChIInChI=1S/C43H27N5/c1-3-13-28(14-4-1)41-32-17-7-9-20-35(32)45-43(46-41)48-36-21-10-8-18-33(36)40-31(19-11-22-37(40)48)29-24-25-34-39(27-29)47(30-15-5-2-6-16-30)38-23-12-26-44-42(34)38/h1-27H
InChIKeyHOLCREMVCXCVKM-UHFFFAOYSA-N
XLogP10.55
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
5-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-4-yl]pyrido[3,2-b]indole
CID 118586979
3-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylpyrido[2,3-b]indole;8-(9-phenylcarbazol-4-yl)-5-(4-phenylquinazolin-2-yl)pyrido[3,2-b]indole;9-phenyl-3-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole
CID 161059406
5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole
CID 118637586
5-phenyl-9-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole
CID 118587992
9-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[2,3-b]indole;7-(9-phenylcarbazol-4-yl)-9-(4-phenylquinazolin-2-yl)pyrido[2,3-b]indole
CID 158937746
5-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-7-(9-phenylcarbazol-4-yl)pyrido[3,2-b]indole
CID 129221830
5-(2,6-diphenylpyrimidin-4-yl)-7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-1-yl)pyrido[3,2-b]indole;5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-1-yl]pyrido[3,2-b]indole
CID 160797577
2-phenyl-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole;9-(4-phenylquinazolin-2-yl)-3-triphenylen-2-ylcarbazole;9-phenyl-4-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]carbazole
CID 158204619
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
2-(9-naphthalen-2-ylcarbazol-1-yl)-9-phenylpyrido[2,3-b]indole;7-(9-phenylcarbazol-1-yl)-5-(4-phenylquinazolin-2-yl)pyrido[3,2-b]indole;9-phenyl-2-(9-phenylcarbazol-1-yl)pyrido[2,3-b]indole;9-phenyl-2-[9-(4-phenylphenyl)carbazol-1-yl]pyrido[2,3-b]indole
CID 158782418
5-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole;5-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-8-(9-phenylcarbazol-2-yl)pyrido[3,2-b]indole;8-(9-phenylcarbazol-2-yl)-5-(4-phenylquinazolin-2-yl)pyrido[3,2-b]indole
CID 157146285

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole (CID 129221822) is 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole is c1ccc(-c2nc(-n3c4ccccc4c4c(-c5ccc6c7ncccc7n(-c7ccccc7)c6c5)cccc43)nc3ccccc23)cc1.
What is the InChIKey of 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole?
The InChIKey is HOLCREMVCXCVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-3-13-28(14-4-1)41-32-17-7-9-20-35(32)45-43(46-41)48-36-21-10-8-18-33(36)40-31(19-11-22-37(40)48)29-24-25-34-39(27-29)47(30-15-5-2-6-16-30)38-23-12-26-44-42(34)38/h1-27H.
What are the key properties of 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole?
5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole has a molecular weight of 613.72 g/mol, XLogP of 10.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 129221822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).