9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole

C38H30N4 — CID 140910315

IUPAC9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4ccnc(-n5c6c(C)cccc6c6cccc(C)c65)c4)ccn3)c12
InChIInChI=1S/C38H30N4/c1-23-9-5-13-29-30-14-6-10-24(2)36(30)41(35(23)29)33-21-27(17-19-39-33)28-18-20-40-34(22-28)42-37-25(3)11-7-15-31(37)32-16-8-12-26(4)38(32)42/h5-22H,1-4H3
InChIKeyQNEUDSHCRJRXSP-UHFFFAOYSA-N
MW542.69 g/mol
LogP9.57
Rot. Bonds3

About 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole

9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole (PubChem CID 140910315) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole.

Molecular Properties

Compound Name9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole
PubChem CID140910315
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC Name9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole
SMILESCc1cccc2c3cccc(C)c3n(-c3cc(-c4ccnc(-n5c6c(C)cccc6c6cccc(C)c65)c4)ccn3)c12
InChIInChI=1S/C38H30N4/c1-23-9-5-13-29-30-14-6-10-24(2)36(30)41(35(23)29)33-21-27(17-19-39-33)28-18-20-40-34(22-28)42-37-25(3)11-7-15-31(37)32-16-8-12-26(4)38(32)42/h5-22H,1-4H3
InChIKeyQNEUDSHCRJRXSP-UHFFFAOYSA-N
XLogP9.57
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
Urmc-099
CID 54764565
(R)-2-(4-methyl-2-(pyrrolidin-1-yl)pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11647025
(R)-2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11710453
N-(2-methyl-4-(2-(pyrrolidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 16046217
7-(Naphthalen-1-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 21783605
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
Mls000766143
CID 288286
1-Ethyl-5-(imidazol-1-yl-phenyl-methyl)-1H-indole
CID 44341253
9-[5-(beta-Carboline-9-yl)pentyl]-beta-carboline
CID 46223112
2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]-beta-carboline-2-ium diiodide
CID 46223339
5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridin-3-yl)-1H-indole
CID 46890955

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole?
The IUPAC name of 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole (CID 140910315) is 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole.
What is the SMILES notation for 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole?
The canonical SMILES for 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole is Cc1cccc2c3cccc(C)c3n(-c3cc(-c4ccnc(-n5c6c(C)cccc6c6cccc(C)c65)c4)ccn3)c12.
What is the InChIKey of 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole?
The InChIKey is QNEUDSHCRJRXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-23-9-5-13-29-30-14-6-10-24(2)36(30)41(35(23)29)33-21-27(17-19-39-33)28-18-20-40-34(22-28)42-37-25(3)11-7-15-31(37)32-16-8-12-26(4)38(32)42/h5-22H,1-4H3.
What are the key properties of 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole?
9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole has a molecular weight of 542.69 g/mol, XLogP of 9.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(1,8-dimethylcarbazol-9-yl)-4-pyridinyl]-2-pyridinyl]-1,8-dimethylcarbazole is sourced from PubChem (CID 140910315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).