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

C52H33N3 — CID 148676628

IUPAC2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H33N3/c1-3-15-38(16-4-1)53-47-21-11-9-19-41(47)43-30-36(23-26-49(43)53)37-24-27-50-44(31-37)45-29-34-13-7-8-14-35(34)32-52(45)55(50)40-25-28-51-46(33-40)42-20-10-12-22-48(42)54(51)39-17-5-2-6-18-39/h1-33H
InChIKeyNQTYOJCIKYRMPQ-UHFFFAOYSA-N
MW699.86 g/mol
LogP13.80
Rot. Bonds4

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

2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole (PubChem CID 148676628) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
PubChem CID148676628
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C52H33N3/c1-3-15-38(16-4-1)53-47-21-11-9-19-41(47)43-30-36(23-26-49(43)53)37-24-27-50-44(31-37)45-29-34-13-7-8-14-35(34)32-52(45)55(50)40-25-28-51-46(33-40)42-20-10-12-22-48(42)54(51)39-17-5-2-6-18-39/h1-33H
InChIKeyNQTYOJCIKYRMPQ-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

3-carbazol-9-yl-9-methylcarbazole;methane;3-(9-methylcarbazol-3-yl)-9-phenylcarbazole;5-phenylbenzo[b]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 157468532
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
2-(9-dibenzothiophen-2-ylcarbazol-3-yl)-5-phenylbenzo[b]carbazole
CID 167243996
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
5-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 153314337
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
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

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The IUPAC name of 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole (CID 148676628) is 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole.
What is the SMILES notation for 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The canonical SMILES for 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc6ccccc6cc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole?
The InChIKey is NQTYOJCIKYRMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-15-38(16-4-1)53-47-21-11-9-19-41(47)43-30-36(23-26-49(43)53)37-24-27-50-44(31-37)45-29-34-13-7-8-14-35(34)32-52(45)55(50)40-25-28-51-46(33-40)42-20-10-12-22-48(42)54(51)39-17-5-2-6-18-39/h1-33H.
What are the key properties of 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole?
2,5-bis(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 2,5-bis(9-phenylcarbazol-3-yl)benzo[b]carbazole is sourced from PubChem (CID 148676628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).