5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole

C48H30N4 — CID 139361444

IUPAC5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-31(15-4-1)47-40-29-34(36-22-13-25-44-46(36)38-21-10-12-24-43(38)51(44)35-18-5-2-6-19-35)26-27-41(40)49-48(50-47)52-42-23-11-9-20-37(42)39-28-32-16-7-8-17-33(32)30-45(39)52/h1-30H
InChIKeySOKHQNBNDCRRKO-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.31
Rot. Bonds4

About 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole

5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 139361444) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID139361444
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc23)cc1
InChIInChI=1S/C48H30N4/c1-3-14-31(15-4-1)47-40-29-34(36-22-13-25-44-46(36)38-21-10-12-24-43(38)51(44)35-18-5-2-6-19-35)26-27-41(40)49-48(50-47)52-42-23-11-9-20-37(42)39-28-32-16-7-8-17-33(32)30-45(39)52/h1-30H
InChIKeySOKHQNBNDCRRKO-UHFFFAOYSA-N
XLogP12.31
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
2-[9-(2,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)carbazol-3-yl]-5-phenylbenzo[b]carbazole
CID 130325936
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
2-[9-[5,6,7,8,9,10-hexadeuterio-4-(4-phenylphenyl)benzo[h]quinazolin-2-yl]carbazol-4-yl]-5-phenylbenzo[b]carbazole
CID 122524413
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
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
2-benzo[b]carbazol-5-yl-6-phenyl-4-(9-phenylcarbazol-4-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391915
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
CID 129221822
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838

Frequently Asked Questions

What is the IUPAC name of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole (CID 139361444) is 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)cc23)cc1.
What is the InChIKey of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is SOKHQNBNDCRRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c1-3-14-31(15-4-1)47-40-29-34(36-22-13-25-44-46(36)38-21-10-12-24-43(38)51(44)35-18-5-2-6-19-35)26-27-41(40)49-48(50-47)52-42-23-11-9-20-37(42)39-28-32-16-7-8-17-33(32)30-45(39)52/h1-30H.
What are the key properties of 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole?
5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 662.80 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-phenyl-6-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 139361444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).