5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole

C46H29N3 — CID 139361842

IUPAC5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5ccccc45)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C46H29N3/c1-3-14-31(15-4-1)38-28-41-42(29-39(38)32-16-5-2-6-17-32)47-46(48-45(41)37-24-13-21-30-18-9-10-22-35(30)37)49-43-25-12-11-23-36(43)40-26-33-19-7-8-20-34(33)27-44(40)49/h1-29H
InChIKeyXZQDEUHZTDCZKL-UHFFFAOYSA-N
MW623.76 g/mol
LogP12.03
Rot. Bonds4

About 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole

5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 139361842) has the molecular formula C46H29N3 and a molecular weight of 623.76 g/mol. Its IUPAC name is 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole
PubChem CID139361842
Molecular FormulaC46H29N3
Molecular Weight623.76 g/mol
Exact Mass623.24
IUPAC Name5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2cc3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5ccccc45)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C46H29N3/c1-3-14-31(15-4-1)38-28-41-42(29-39(38)32-16-5-2-6-17-32)47-46(48-45(41)37-24-13-21-30-18-9-10-22-35(30)37)49-43-25-12-11-23-36(43)40-26-33-19-7-8-20-34(33)27-44(40)49/h1-29H
InChIKeyXZQDEUHZTDCZKL-UHFFFAOYSA-N
XLogP12.03
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.76
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4,7-dinaphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole;5-(7-naphthalen-2-yl-4,6-diphenylquinazolin-2-yl)benzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-yl-6-phenylquinazolin-2-yl)benzo[b]carbazole
CID 161085780
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
5-(6-dibenzofuran-4-yl-4,7-diphenylquinazolin-2-yl)benzo[b]carbazole
CID 139361732
5-(6,7-diphenyl-4-triphenylen-2-ylquinazolin-2-yl)-3-phenylbenzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-ylquinazolin-2-yl)-2-(4-phenylphenyl)benzo[b]carbazole;5-(4-naphthalen-1-yl-6-naphthalen-2-ylquinazolin-2-yl)-1-triphenylen-2-ylbenzo[b]carbazole
CID 157483627
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
5-(4-naphthalen-1-ylbenzo[h]quinazolin-2-yl)benzo[b]carbazole
CID 166889749
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361444
5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139362284
10-benzo[b]carbazol-5-yl-7-[4-(2-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 161141967
5-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)quinazolin-2-yl]benzo[b]carbazole
CID 139361885
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361644

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole (CID 139361842) is 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2cc3nc(-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5ccccc45)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is XZQDEUHZTDCZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3/c1-3-14-31(15-4-1)38-28-41-42(29-39(38)32-16-5-2-6-17-32)47-46(48-45(41)37-24-13-21-30-18-9-10-22-35(30)37)49-43-25-12-11-23-36(43)40-26-33-19-7-8-20-34(33)27-44(40)49/h1-29H.
What are the key properties of 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole?
5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 623.76 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-1-yl-6,7-diphenylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 139361842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).