12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole

C58H38N4 — CID 155240321

IUPAC12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-4-17-39(18-5-1)41-31-33-43(34-32-41)58-59-50(42-21-8-3-9-22-42)38-51(60-58)48-26-11-14-29-53(48)62-54-30-15-12-27-49(54)56-55(62)36-35-47-46-25-10-13-28-52(46)61(57(47)56)45-24-16-23-44(37-45)40-19-6-2-7-20-40/h1-38H
InChIKeyJXHXJUQFNFZCPX-UHFFFAOYSA-N
MW790.97 g/mol
LogP15.01
Rot. Bonds7

About 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole

12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole (PubChem CID 155240321) has the molecular formula C58H38N4 and a molecular weight of 790.97 g/mol. Its IUPAC name is 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
PubChem CID155240321
Molecular FormulaC58H38N4
Molecular Weight790.97 g/mol
Exact Mass790.31
IUPAC Name12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)n3)cc2)cc1
InChIInChI=1S/C58H38N4/c1-4-17-39(18-5-1)41-31-33-43(34-32-41)58-59-50(42-21-8-3-9-22-42)38-51(60-58)48-26-11-14-29-53(48)62-54-30-15-12-27-49(54)56-55(62)36-35-47-46-25-10-13-28-52(46)61(57(47)56)45-24-16-23-44(37-45)40-19-6-2-7-20-40/h1-38H
InChIKeyJXHXJUQFNFZCPX-UHFFFAOYSA-N
XLogP15.01
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-naphthalen-1-yl-12-[4-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3-phenylphenyl)-12-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 159221597
5-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-naphthalen-1-ylindolo[3,2-c]carbazole
CID 155631323
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
5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463086
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155240549
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-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
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
12-phenyl-5-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496601
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

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole (CID 155240321) is 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccccc4-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6cccc(-c7ccccc7)c6)c45)n3)cc2)cc1.
What is the InChIKey of 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
The InChIKey is JXHXJUQFNFZCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N4/c1-4-17-39(18-5-1)41-31-33-43(34-32-41)58-59-50(42-21-8-3-9-22-42)38-51(60-58)48-26-11-14-29-53(48)62-54-30-15-12-27-49(54)56-55(62)36-35-47-46-25-10-13-28-52(46)61(57(47)56)45-24-16-23-44(37-45)40-19-6-2-7-20-40/h1-38H.
What are the key properties of 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole?
12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole has a molecular weight of 790.97 g/mol, XLogP of 15.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 155240321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).