1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole

C56H34N4 — CID 146375727

IUPAC1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
SMILESc1cc(-c2nc(-c3cccc4ccccc34)nc3ccccc23)cc(-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5ccc6ccccc6c54)cccc32)c1
InChIInChI=1S/C56H34N4/c1-2-17-38-34-52-47(33-37(38)16-1)53-50(28-13-29-51(53)60-49-27-10-8-23-43(49)44-31-30-36-15-4-6-22-42(36)55(44)60)59(52)40-20-11-19-39(32-40)54-46-24-7-9-26-48(46)57-56(58-54)45-25-12-18-35-14-3-5-21-41(35)45/h1-34H
InChIKeyIODIYQNDXHVYDD-UHFFFAOYSA-N
MW762.92 g/mol
LogP14.62
Rot. Bonds4

About 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole

1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole (PubChem CID 146375727) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole.

Molecular Properties

Compound Name1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
PubChem CID146375727
Molecular FormulaC56H34N4
Molecular Weight762.92 g/mol
Exact Mass762.28
IUPAC Name1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole
SMILESc1cc(-c2nc(-c3cccc4ccccc34)nc3ccccc23)cc(-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5ccc6ccccc6c54)cccc32)c1
InChIInChI=1S/C56H34N4/c1-2-17-38-34-52-47(33-37(38)16-1)53-50(28-13-29-51(53)60-49-27-10-8-23-43(49)44-31-30-36-15-4-6-22-42(36)55(44)60)59(52)40-20-11-19-39(32-40)54-46-24-7-9-26-48(46)57-56(58-54)45-25-12-18-35-14-3-5-21-41(35)45/h1-34H
InChIKeyIODIYQNDXHVYDD-UHFFFAOYSA-N
XLogP14.62
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.92
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzo[a]carbazol-11-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375421
1-carbazol-9-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]benzo[b]carbazole;1-carbazol-9-yl-5-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 159738156
5-[3-(4-phenanthren-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 139362132
1-benzo[a]carbazol-11-yl-5-[5-[3-(3,5-diphenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[6-(3-naphthalen-1-ylquinoxalin-2-yl)naphthalen-2-yl]benzo[b]carbazole
CID 161202682
1-benzo[c]carbazol-7-yl-5-[4-(4-naphthalen-2-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375469
9-benzo[a]carbazol-11-yl-5-[5-(4-dibenzofuran-3-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146375982
1-benzo[b]carbazol-5-yl-5-[4-(4-triphenylen-2-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375454
1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 155477453
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
7-phenyl-11-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[a]carbazole
CID 166849308
1-benzo[a]carbazol-11-yl-5-[4-(3-naphthalen-2-ylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole;1-benzo[a]carbazol-11-yl-5-[4-(3-phenylquinoxalin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 159790900
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622

Frequently Asked Questions

What is the IUPAC name of 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole?
The IUPAC name of 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole (CID 146375727) is 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole.
What is the SMILES notation for 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole?
The canonical SMILES for 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole is c1cc(-c2nc(-c3cccc4ccccc34)nc3ccccc23)cc(-n2c3cc4ccccc4cc3c3c(-n4c5ccccc5c5ccc6ccccc6c54)cccc32)c1.
What is the InChIKey of 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole?
The InChIKey is IODIYQNDXHVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-2-17-38-34-52-47(33-37(38)16-1)53-50(28-13-29-51(53)60-49-27-10-8-23-43(49)44-31-30-36-15-4-6-22-42(36)55(44)60)59(52)40-20-11-19-39(32-40)54-46-24-7-9-26-48(46)57-56(58-54)45-25-12-18-35-14-3-5-21-41(35)45/h1-34H.
What are the key properties of 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole?
1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole has a molecular weight of 762.92 g/mol, XLogP of 14.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzo[a]carbazol-11-yl-5-[3-(2-naphthalen-1-ylquinazolin-4-yl)phenyl]benzo[b]carbazole is sourced from PubChem (CID 146375727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).