5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole

C52H33N3 — CID 134552522

IUPAC5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c45)ccc32)cc1
InChIInChI=1S/C52H33N3/c1-3-16-36(17-4-1)53-47-25-13-10-22-41(47)44-32-35(27-30-49(44)53)51-39-20-8-7-15-34(39)31-45-42-23-11-14-26-48(42)55(52(45)51)38-28-29-43-40-21-9-12-24-46(40)54(50(43)33-38)37-18-5-2-6-19-37/h1-33H
InChIKeyVSEUFBHPIZQQJI-UHFFFAOYSA-N
MW699.86 g/mol
LogP13.80
Rot. Bonds4

About 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole

5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 134552522) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
PubChem CID134552522
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c45)ccc32)cc1
InChIInChI=1S/C52H33N3/c1-3-16-36(17-4-1)53-47-25-13-10-22-41(47)44-32-35(27-30-49(44)53)51-39-20-8-7-15-34(39)31-45-42-23-11-14-26-48(42)55(52(45)51)38-28-29-43-40-21-9-12-24-46(40)54(50(43)33-38)37-18-5-2-6-19-37/h1-33H
InChIKeyVSEUFBHPIZQQJI-UHFFFAOYSA-N
XLogP13.80
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552559
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
10-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 134552566
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
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
6-dibenzothiophen-2-yl-5-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 134552439
6-(4,6-diphenyl-2-pyridinyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzo[b]carbazole
CID 134552471
2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 148676628
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
3,6-diphenyl-9-[9-[4-[6-phenyl-2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]carbazole
CID 129061465
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121274440

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole (CID 134552522) is 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5cc5c6ccccc6n(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)c45)ccc32)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is VSEUFBHPIZQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-16-36(17-4-1)53-47-25-13-10-22-41(47)44-32-35(27-30-49(44)53)51-39-20-8-7-15-34(39)31-45-42-23-11-14-26-48(42)55(52(45)51)38-28-29-43-40-21-9-12-24-46(40)54(50(43)33-38)37-18-5-2-6-19-37/h1-33H.
What are the key properties of 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole?
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole has a molecular weight of 699.86 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 134552522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).