2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole

C52H32N4 — CID 146375178

IUPAC2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)51-52(54-45-20-10-9-19-44(45)53-51)56-47-29-27-39(32-43(47)42-30-37-15-4-5-16-38(37)31-49(42)56)55-46-21-11-8-18-41(46)50-40-17-7-6-14-35(40)26-28-48(50)55/h1-32H
InChIKeyQHBLNFWSRHMUBJ-UHFFFAOYSA-N
MW712.86 g/mol
LogP13.46
Rot. Bonds4

About 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole

2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole (PubChem CID 146375178) has the molecular formula C52H32N4 and a molecular weight of 712.86 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
PubChem CID146375178
Molecular FormulaC52H32N4
Molecular Weight712.86 g/mol
Exact Mass712.26
IUPAC Name2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4c4cc5ccccc5cc43)cc2)cc1
InChIInChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)51-52(54-45-20-10-9-19-44(45)53-51)56-47-29-27-39(32-43(47)42-30-37-15-4-5-16-38(37)31-49(42)56)55-46-21-11-8-18-41(46)50-40-17-7-6-14-35(40)26-28-48(50)55/h1-32H
InChIKeyQHBLNFWSRHMUBJ-UHFFFAOYSA-N
XLogP13.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.86
LogP ≤ 513.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481423
10-carbazol-9-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-carbazol-9-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163468032
9,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163789996
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
2-benzo[c]carbazol-7-yl-5-[4-(3,5-diphenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375215
10-benzo[b]carbazol-5-yl-7-[3-(3-naphthalen-2-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[3-(3-naphthalen-1-ylphenyl)quinoxalin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-4-yl)quinazolin-2-yl]benzo[c]carbazole
CID 163628288
5-(3-phenanthren-2-ylquinoxalin-2-yl)-2-phenylbenzo[b]carbazole
CID 146539824
8-benzo[c]carbazol-7-yl-5-[3-(9,9-dimethylfluoren-2-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375005
9-benzo[a]carbazol-11-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[a]carbazol-11-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole;9-benzo[b]carbazol-5-yl-7-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]benzo[c]carbazole
CID 163508153
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The IUPAC name of 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole (CID 146375178) is 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The canonical SMILES for 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3nc4ccccc4nc3-n3c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4c4cc5ccccc5cc43)cc2)cc1.
What is the InChIKey of 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
The InChIKey is QHBLNFWSRHMUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4/c1-2-12-33(13-3-1)34-22-24-36(25-23-34)51-52(54-45-20-10-9-19-44(45)53-51)56-47-29-27-39(32-43(47)42-30-37-15-4-5-16-38(37)31-49(42)56)55-46-21-11-8-18-41(46)50-40-17-7-6-14-35(40)26-28-48(50)55/h1-32H.
What are the key properties of 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole?
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole has a molecular weight of 712.86 g/mol, XLogP of 13.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 146375178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).