9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole

C52H33N3 — CID 58971540

IUPAC9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)n3)ccc2c1
InChIInChI=1S/C52H33N3/c1-3-13-38-31-40(27-21-34(38)11-1)47-33-48(41-28-22-35-12-2-4-14-39(35)32-41)54-52(53-47)37-25-23-36(24-26-37)42-29-30-51(44-16-6-5-15-43(42)44)55-49-19-9-7-17-45(49)46-18-8-10-20-50(46)55/h1-33H
InChIKeyHIALUCQDOYPJRE-UHFFFAOYSA-N
MW699.86 g/mol
LogP13.70
Rot. Bonds5

About 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole

9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole (PubChem CID 58971540) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole.

Molecular Properties

Compound Name9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole
PubChem CID58971540
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole
SMILESc1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)n3)ccc2c1
InChIInChI=1S/C52H33N3/c1-3-13-38-31-40(27-21-34(38)11-1)47-33-48(41-28-22-35-12-2-4-14-39(35)32-41)54-52(53-47)37-25-23-36(24-26-37)42-29-30-51(44-16-6-5-15-43(42)44)55-49-19-9-7-17-45(49)46-18-8-10-20-50(46)55/h1-33H
InChIKeyHIALUCQDOYPJRE-UHFFFAOYSA-N
XLogP13.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 513.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole 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

1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine
CID 865238
4-(2-(Trifluoromethyl)phenyl)-2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18691298
2-Butyl-1-(naphthalen-1-ylmethyl)-1H-imidazo[4,5-c]quinolin-4-amine
CID 52946707
N,9-dimethyl-N-(2-methylquinazolin-4-yl)carbazol-3-amine
CID 149250309
1-(4-Fluorophenyl)-2-methyl-8-naphthalen-2-ylimidazo[4,5-c]quinoline
CID 168289126
Dextranase
CID 167312536
2,4-Diphenylbenzo(h)quinazoline
CID 3466745
1,3-Diaminonaphtho[2,3-f]quinazoline
CID 621415
2-Phenyl-9-((S)-1-p-tolyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylamine
CID 10571710
2-Phenyl-9-((R)-1-p-tolyl-ethyl)-9H-pyrimido[4,5-b]indol-4-ylamine
CID 10595828
2,9-Diphenyl-9H-pyrimido[4,5-b]indol-4-ylamine
CID 14948734
9-Methyl-3-[1-(2-methylquinazolin-4-yl)ethenyl]carbazole
CID 155538604

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole?
The IUPAC name of 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole (CID 58971540) is 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole.
What is the SMILES notation for 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole?
The canonical SMILES for 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole is c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)c6ccccc56)cc4)n3)ccc2c1.
What is the InChIKey of 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole?
The InChIKey is HIALUCQDOYPJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-3-13-38-31-40(27-21-34(38)11-1)47-33-48(41-28-22-35-12-2-4-14-39(35)32-41)54-52(53-47)37-25-23-36(24-26-37)42-29-30-51(44-16-6-5-15-43(42)44)55-49-19-9-7-17-45(49)46-18-8-10-20-50(46)55/h1-33H.
What are the key properties of 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole?
9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole has a molecular weight of 699.86 g/mol, XLogP of 13.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(4,6-dinaphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]carbazole is sourced from PubChem (CID 58971540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).