1,8-diphenyl-9-pyridin-2-ylcarbazole

C58H40N4 — CID 139108209

IUPAC1,8-diphenyl-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cccc3c4cccc(-c5ccccc5)c4n(-c4ccccn4)c23)cc1.c1ccc(-c2cccc3c4cccc(-c5ccccc5)c4n(-c4ccccn4)c23)cc1
InChIInChI=1S/2C29H20N2/c2*1-3-11-21(12-4-1)23-15-9-17-25-26-18-10-16-24(22-13-5-2-6-14-22)29(26)31(28(23)25)27-19-7-8-20-30-27/h2*1-20H
InChIKeyYXLYFGOHQSQOGT-UHFFFAOYSA-N
MW792.99 g/mol
LogP15.03
Rot. Bonds6

About 1,8-diphenyl-9-pyridin-2-ylcarbazole

1,8-diphenyl-9-pyridin-2-ylcarbazole (PubChem CID 139108209) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 1,8-diphenyl-9-pyridin-2-ylcarbazole.

Molecular Properties

Compound Name1,8-diphenyl-9-pyridin-2-ylcarbazole
PubChem CID139108209
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name1,8-diphenyl-9-pyridin-2-ylcarbazole
SMILESc1ccc(-c2cccc3c4cccc(-c5ccccc5)c4n(-c4ccccn4)c23)cc1.c1ccc(-c2cccc3c4cccc(-c5ccccc5)c4n(-c4ccccn4)c23)cc1
InChIInChI=1S/2C29H20N2/c2*1-3-11-21(12-4-1)23-15-9-17-25-26-18-10-16-24(22-13-5-2-6-14-22)29(26)31(28(23)25)27-19-7-8-20-30-27/h2*1-20H
InChIKeyYXLYFGOHQSQOGT-UHFFFAOYSA-N
XLogP15.03
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
2-Methyl-5-[9-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186429
9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline
CID 46223113
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
1-(4-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5-(pyrimidin-5-yl)-1H-indole
CID 52942395
2-Methyl-5-[8-(2-methylpyrido[4,3-b]indol-2-ium-5-yl)octyl]pyrido[4,3-b]indol-2-ium diiodide
CID 122186427
1-(4-pyrrolidin-1-ylpiperidin-1-yl)-9H-pyrido[3,4-b]indole
CID 86016146
N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-diethylpropane-1,3-diamine
CID 183273
N-(4,5-dimethylpyrido[4,3-b]indol-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 183275
1-Carbazol-9-yl-3-(4-pyridin-2-yl-piperazin-1-yl)-propan-2-ol
CID 655222
3-{4-[2-(4-Pyridin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-1H-indole
CID 9886609
5,6-Dihydro-2-methyl-1-{2-[4-(4-methylpyridin-2-yl)piperazin-1-yl]ethyl}-4H-pyrrolo[3,2,1-ij]quinoline
CID 9929493

Frequently Asked Questions

What is the IUPAC name of 1,8-diphenyl-9-pyridin-2-ylcarbazole?
The IUPAC name of 1,8-diphenyl-9-pyridin-2-ylcarbazole (CID 139108209) is 1,8-diphenyl-9-pyridin-2-ylcarbazole.
What is the SMILES notation for 1,8-diphenyl-9-pyridin-2-ylcarbazole?
The canonical SMILES for 1,8-diphenyl-9-pyridin-2-ylcarbazole is c1ccc(-c2cccc3c4cccc(-c5ccccc5)c4n(-c4ccccn4)c23)cc1.c1ccc(-c2cccc3c4cccc(-c5ccccc5)c4n(-c4ccccn4)c23)cc1.
What is the InChIKey of 1,8-diphenyl-9-pyridin-2-ylcarbazole?
The InChIKey is YXLYFGOHQSQOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H20N2/c2*1-3-11-21(12-4-1)23-15-9-17-25-26-18-10-16-24(22-13-5-2-6-14-22)29(26)31(28(23)25)27-19-7-8-20-30-27/h2*1-20H.
What are the key properties of 1,8-diphenyl-9-pyridin-2-ylcarbazole?
1,8-diphenyl-9-pyridin-2-ylcarbazole has a molecular weight of 792.99 g/mol, XLogP of 15.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diphenyl-9-pyridin-2-ylcarbazole is sourced from PubChem (CID 139108209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).