5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

C50H32N4 — CID 155240808

IUPAC5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C50H32N4/c1-3-15-34(16-4-1)43-32-44(52-50(51-43)37-27-26-33-14-7-8-17-35(33)30-37)36-18-13-21-39(31-36)53-46-25-12-10-23-42(46)48-47(53)29-28-41-40-22-9-11-24-45(40)54(49(41)48)38-19-5-2-6-20-38/h1-32H
InChIKeyHWKCLUDVMUHKSI-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.82
Rot. Bonds5

About 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 155240808) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID155240808
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C50H32N4/c1-3-15-34(16-4-1)43-32-44(52-50(51-43)37-27-26-33-14-7-8-17-35(33)30-37)36-18-13-21-39(31-36)53-46-25-12-10-23-42(46)48-47(53)29-28-41-40-22-9-11-24-45(40)54(49(41)48)38-19-5-2-6-20-38/h1-32H
InChIKeyHWKCLUDVMUHKSI-UHFFFAOYSA-N
XLogP12.82
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]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

12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-[6-(2-naphthalen-2-yl-6-phenyl-4-pyridinyl)naphthalen-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 155240145
12-naphthalen-1-yl-5-[3-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole;12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 158650044
5-[3-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-12-naphthalen-2-ylindolo[3,2-c]carbazole;12-phenyl-5-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
CID 161246731
5-[7-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole;12-phenyl-5-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]naphthalen-1-yl]indolo[3,2-c]carbazole
CID 160820077
5-[6-(4,6-diphenyl-2-pyridinyl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 155241006
5-phenyl-12-[7-[4-phenyl-6-(2-phenylphenyl)pyrimidin-2-yl]naphthalen-2-yl]indolo[3,2-c]carbazole
CID 155240746
5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463026
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 156530868
5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 158616236

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 155240808) is 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is HWKCLUDVMUHKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-3-15-34(16-4-1)43-32-44(52-50(51-43)37-27-26-33-14-7-8-17-35(33)30-37)36-18-13-21-39(31-36)53-46-25-12-10-23-42(46)48-47(53)29-28-41-40-22-9-11-24-45(40)54(49(41)48)38-19-5-2-6-20-38/h1-32H.
What are the key properties of 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 688.83 g/mol, XLogP of 12.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155240808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).