5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole

C54H34N4 — CID 134353255

IUPAC5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C54H34N4/c1-3-16-35(17-4-1)53-43-25-9-12-27-47(43)55-54(56-53)58-49-29-14-11-26-44(49)52-42-24-8-7-22-40(42)45(34-51(52)58)38-19-15-18-36(32-38)37-30-31-50-46(33-37)41-23-10-13-28-48(41)57(50)39-20-5-2-6-21-39/h1-34H
InChIKeyICUKCZMTIBMBLT-UHFFFAOYSA-N
MW738.89 g/mol
LogP13.98
Rot. Bonds5

About 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole

5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole (PubChem CID 134353255) has the molecular formula C54H34N4 and a molecular weight of 738.89 g/mol. Its IUPAC name is 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
PubChem CID134353255
Molecular FormulaC54H34N4
Molecular Weight738.89 g/mol
Exact Mass738.28
IUPAC Name5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)cc43)nc3ccccc23)cc1
InChIInChI=1S/C54H34N4/c1-3-16-35(17-4-1)53-43-25-9-12-27-47(43)55-54(56-53)58-49-29-14-11-26-44(49)52-42-24-8-7-22-40(42)45(34-51(52)58)38-19-15-18-36(32-38)37-30-31-50-46(33-37)41-23-10-13-28-48(41)57(50)39-20-5-2-6-21-39/h1-34H
InChIKeyICUKCZMTIBMBLT-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

7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
5-naphthalen-1-yl-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;5-phenyl-7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;trimethyl-[7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazol-5-yl]silane
CID 158180027
7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 118637829
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenol
CID 136980186
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenyl]carbazole
CID 159857779

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The IUPAC name of 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole (CID 134353255) is 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The canonical SMILES for 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c5)cc43)nc3ccccc23)cc1.
What is the InChIKey of 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
The InChIKey is ICUKCZMTIBMBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4/c1-3-16-35(17-4-1)53-43-25-9-12-27-47(43)55-54(56-53)58-49-29-14-11-26-44(49)52-42-24-8-7-22-40(42)45(34-51(52)58)38-19-15-18-36(32-38)37-30-31-50-46(33-37)41-23-10-13-28-48(41)57(50)39-20-5-2-6-21-39/h1-34H.
What are the key properties of 5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole?
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]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-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 134353255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).