5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole

C54H34N4 — CID 139361389

IUPAC5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccc(-c7ccccc7)cc6n5)cc43)cc2)cc1
InChIInChI=1S/C54H34N4/c1-3-13-35(14-4-1)37-23-27-42(28-24-37)57-49-21-11-9-19-43(49)45-29-26-41(34-51(45)57)53-55-48-32-40(36-15-5-2-6-16-36)25-30-46(48)54(56-53)58-50-22-12-10-20-44(50)47-31-38-17-7-8-18-39(38)33-52(47)58/h1-34H
InChIKeyIRBSVLDXQZBRJC-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole

5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole (PubChem CID 139361389) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
PubChem CID139361389
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccc(-c7ccccc7)cc6n5)cc43)cc2)cc1
InChIInChI=1S/C54H34N4/c1-3-13-35(14-4-1)37-23-27-42(28-24-37)57-49-21-11-9-19-43(49)45-29-26-41(34-51(45)57)53-55-48-32-40(36-15-5-2-6-16-36)25-30-46(48)54(56-53)58-50-22-12-10-20-44(50)47-31-38-17-7-8-18-39(38)33-52(47)58/h1-34H
InChIKeyIRBSVLDXQZBRJC-UHFFFAOYSA-N
XLogP13.98
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.89
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-5-[7-phenyl-2-(9-phenylcarbazol-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146540884
5-[2-(9-naphthalen-2-ylcarbazol-3-yl)-7-phenylquinazolin-4-yl]-3-phenyl-9-[4-[3-[7-phenyl-4-(3-phenylbenzo[b]carbazol-5-yl)quinazolin-2-yl]carbazol-9-yl]phenyl]benzo[b]carbazole
CID 146539883
2-benzo[b]carbazol-5-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole
CID 146375305
2-phenyl-5-[2-[4-(4-phenylphenyl)phenyl]quinazolin-4-yl]benzo[b]carbazole
CID 146540295
8-benzo[c]carbazol-7-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 146375996
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
2-benzo[a]carbazol-11-yl-5-(2-naphthalen-2-ylquinazolin-4-yl)benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-[2-(4-phenylphenyl)quinazolin-4-yl]benzo[b]carbazole;2-benzo[a]carbazol-11-yl-5-(2-phenylquinazolin-4-yl)benzo[b]carbazole
CID 157060055
9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 142377805
5-(2,7-dinaphthalen-2-ylquinazolin-4-yl)-2-naphthalen-1-ylbenzo[b]carbazole;5-(2-naphthalen-2-yl-6,7-diphenylquinazolin-4-yl)-2-phenylbenzo[b]carbazole;1-naphthalen-1-yl-5-[2-phenyl-6-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 157308018
5-[3-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621945
9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
CID 135144167
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720

Frequently Asked Questions

What is the IUPAC name of 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole (CID 139361389) is 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5nc(-n6c7ccccc7c7cc8ccccc8cc76)c6ccc(-c7ccccc7)cc6n5)cc43)cc2)cc1.
What is the InChIKey of 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole?
The InChIKey is IRBSVLDXQZBRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-13-35(14-4-1)37-23-27-42(28-24-37)57-49-21-11-9-19-43(49)45-29-26-41(34-51(45)57)53-55-48-32-40(36-15-5-2-6-16-36)25-30-46(48)54(56-53)58-50-22-12-10-20-44(50)47-31-38-17-7-8-18-39(38)33-52(47)58/h1-34H.
What are the key properties of 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole?
5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole has a molecular weight of 738.89 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-phenyl-2-[9-(4-phenylphenyl)carbazol-2-yl]quinazolin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 139361389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).