5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole

C33H24N2 — CID 172510468

IUPAC5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc4cccc(-c5ccccn5)c4cc32)CC(c2ccccc2)=C1
InChIInChI=1S/C33H24N2/c1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-32-18-5-4-15-28(32)30-21-25-13-9-16-27(29(25)22-33(30)35)31-17-6-7-19-34-31/h1-19,21-22,26H,20H2
InChIKeyHFIILLGFDBQVHM-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.59
Rot. Bonds3

About 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole

5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole (PubChem CID 172510468) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole.

Molecular Properties

Compound Name5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole
PubChem CID172510468
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole
SMILESC1=CC(n2c3ccccc3c3cc4cccc(-c5ccccn5)c4cc32)CC(c2ccccc2)=C1
InChIInChI=1S/C33H24N2/c1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-32-18-5-4-15-28(32)30-21-25-13-9-16-27(29(25)22-33(30)35)31-17-6-7-19-34-31/h1-19,21-22,26H,20H2
InChIKeyHFIILLGFDBQVHM-UHFFFAOYSA-N
XLogP8.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-6-(9-phenylcarbazol-2-yl)-9-(5-phenylcyclohexa-2,4-dien-1-yl)carbazole
CID 145212544
4-carbazol-9-yl-2-[5-(3-phenylcarbazol-9-yl)cyclohexa-1,3-dien-1-yl]benzonitrile
CID 163746431
7,7,10,10-tetramethyl-5-[5-(5-methyl-4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)cyclohexa-2,4-dien-1-yl]-8,9-dihydrobenzo[b]carbazole
CID 170013593
9-cyclopentyl-1-pyridin-2-ylcarbazole
CID 153432990
5-(6-phenyl-2-pyridinyl)-11-(6-pyridin-2-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118504611
9-(5-bromocyclohexa-2,4-dien-1-yl)carbazole
CID 167280699
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
5-[4-(6-phenyl-2-pyridin-2-ylpyrimidin-4-yl)naphthalen-1-yl]benzo[b]carbazole
CID 134603673
3-(5-pyridin-3-ylcyclohexa-2,4-dien-1-yl)-6-(3-pyridin-3-ylphenyl)-9-[3-[3-[3-(5-pyridin-2-yl-3-pyridinyl)carbazol-9-yl]phenyl]phenyl]carbazole
CID 144737233
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
11-cyclohexa-2,4-dien-1-yl-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-b]carbazole
CID 163688380
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 167149257

Frequently Asked Questions

What is the IUPAC name of 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole?
The IUPAC name of 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole (CID 172510468) is 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole.
What is the SMILES notation for 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole?
The canonical SMILES for 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole is C1=CC(n2c3ccccc3c3cc4cccc(-c5ccccn5)c4cc32)CC(c2ccccc2)=C1.
What is the InChIKey of 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole?
The InChIKey is HFIILLGFDBQVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-2-10-23(11-3-1)24-12-8-14-26(20-24)35-32-18-5-4-15-28(32)30-21-25-13-9-16-27(29(25)22-33(30)35)31-17-6-7-19-34-31/h1-19,21-22,26H,20H2.
What are the key properties of 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole?
5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole has a molecular weight of 448.57 g/mol, XLogP of 8.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-phenylcyclohexa-2,4-dien-1-yl)-7-pyridin-2-ylbenzo[b]carbazole is sourced from PubChem (CID 172510468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).