6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole

C52H34N2 — CID 134552559

IUPAC6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c5)c34)cc2)cc1
InChIInChI=1S/C52H34N2/c1-3-13-35(14-4-1)37-23-25-39(26-24-37)51-43-18-8-7-17-40(43)33-47-45-20-10-12-22-49(45)54(52(47)51)42-31-32-46-44-19-9-11-21-48(44)53(50(46)34-42)41-29-27-38(28-30-41)36-15-5-2-6-16-36/h1-34H
InChIKeyIRARFQUXBZKKBK-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole

6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole (PubChem CID 134552559) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
PubChem CID134552559
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c5)c34)cc2)cc1
InChIInChI=1S/C52H34N2/c1-3-13-35(14-4-1)37-23-25-39(26-24-37)51-43-18-8-7-17-40(43)33-47-45-20-10-12-22-49(45)54(52(47)51)42-31-32-46-44-19-9-11-21-48(44)53(50(46)34-42)41-29-27-38(28-30-41)36-15-5-2-6-16-36/h1-34H
InChIKeyIRARFQUXBZKKBK-UHFFFAOYSA-N
XLogP14.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552522
6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552471
4-phenyl-N-(4-phenylphenyl)-N-[4-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]phenyl]aniline
CID 134552398
6-(9-phenylcarbazol-3-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]-1-[9-phenyl-7-[5-(9-phenylcarbazol-2-yl)benzo[b]carbazol-6-yl]carbazol-3-yl]benzo[b]carbazole
CID 134556122
6-(4-diphenylphosphorylphenyl)-5-(4-phenylphenyl)benzo[b]carbazole
CID 134552769
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
6-phenyl-1-[9-[4-(6-phenylbenzo[b]carbazol-5-yl)phenyl]carbazol-4-yl]-5-[9-[3-[6-phenyl-5-(9-phenylcarbazol-2-yl)benzo[b]carbazol-2-yl]phenyl]carbazol-3-yl]benzo[b]carbazole
CID 134556035
N,4-diphenyl-N-[4-(5-phenylbenzo[b]carbazol-6-yl)phenyl]aniline
CID 134552415
12-phenyl-14-[9-(4-phenylphenyl)carbazol-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;12-phenyl-14-[9-(4-phenylphenyl)carbazol-3-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene;5-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole;5-(3-phenylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 157268942
N,N-diphenyl-4-(6-phenylbenzo[b]carbazol-5-yl)aniline
CID 134552399
6-(4-phenylphenyl)-1-[7-[3-[6-(4-phenylphenyl)benzo[b]carbazol-5-yl]carbazol-9-yl]naphthalen-2-yl]-5-[9-[4-[3-[6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazol-2-yl]phenyl]phenyl]carbazol-3-yl]benzo[b]carbazole
CID 134556038
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 134552606

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
The IUPAC name of 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole (CID 134552559) is 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole.
What is the SMILES notation for 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
The canonical SMILES for 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole is c1ccc(-c2ccc(-c3c4ccccc4cc4c5ccccc5n(-c5ccc6c7ccccc7n(-c7ccc(-c8ccccc8)cc7)c6c5)c34)cc2)cc1.
What is the InChIKey of 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
The InChIKey is IRARFQUXBZKKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-3-13-35(14-4-1)37-23-25-39(26-24-37)51-43-18-8-7-17-40(43)33-47-45-20-10-12-22-49(45)54(52(47)51)42-31-32-46-44-19-9-11-21-48(44)53(50(46)34-42)41-29-27-38(28-30-41)36-15-5-2-6-16-36/h1-34H.
What are the key properties of 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole?
6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole has a molecular weight of 686.86 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole is sourced from PubChem (CID 134552559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).