5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

C64H41N5 — CID 155463086

IUPAC5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H41N5/c1-4-20-42(21-5-1)53-41-54(66-64(65-53)43-22-6-2-7-23-43)44-36-38-60(52(40-44)49-29-13-18-34-58(49)68-56-32-16-10-26-46(56)47-27-11-17-33-57(47)68)69-59-35-19-14-30-51(59)62-61(69)39-37-50-48-28-12-15-31-55(48)67(63(50)62)45-24-8-3-9-25-45/h1-41H
InChIKeyGSATVTSVGCRGDM-UHFFFAOYSA-N
MW880.07 g/mol
LogP16.44
Rot. Bonds7

About 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 155463086) has the molecular formula C64H41N5 and a molecular weight of 880.07 g/mol. Its IUPAC name is 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID155463086
Molecular FormulaC64H41N5
Molecular Weight880.07 g/mol
Exact Mass879.34
IUPAC Name5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C64H41N5/c1-4-20-42(21-5-1)53-41-54(66-64(65-53)43-22-6-2-7-23-43)44-36-38-60(52(40-44)49-29-13-18-34-58(49)68-56-32-16-10-26-46(56)47-27-11-17-33-57(47)68)69-59-35-19-14-30-51(59)62-61(69)39-37-50-48-28-12-15-31-55(48)67(63(50)62)45-24-8-3-9-25-45/h1-41H
InChIKeyGSATVTSVGCRGDM-UHFFFAOYSA-N
XLogP16.44
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.07
LogP ≤ 516.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-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

5-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139497018
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-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
5-[4-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597921
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[2-[5-(2,6-diphenylpyrimidin-4-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 159927576
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162500605
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415
5-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
5-[5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 157484056
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazol-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 134597913
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 161114464

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 155463086) is 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4ccccc4-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is GSATVTSVGCRGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5/c1-4-20-42(21-5-1)53-41-54(66-64(65-53)43-22-6-2-7-23-43)44-36-38-60(52(40-44)49-29-13-18-34-58(49)68-56-32-16-10-26-46(56)47-27-11-17-33-57(47)68)69-59-35-19-14-30-51(59)62-61(69)39-37-50-48-28-12-15-31-55(48)67(63(50)62)45-24-8-3-9-25-45/h1-41H.
What are the key properties of 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 880.07 g/mol, XLogP of 16.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155463086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).