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

C52H34N4 — CID 155240549

IUPAC5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-17-35(18-5-1)45-34-46(54-52(53-45)36-19-6-2-7-20-36)41-26-11-10-25-40(41)37-21-16-24-39(33-37)55-48-30-15-13-28-44(48)50-49(55)32-31-43-42-27-12-14-29-47(42)56(51(43)50)38-22-8-3-9-23-38/h1-34H
InChIKeyFMAODAKWKVKXDW-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

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

5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 155240549) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID155240549
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H34N4/c1-4-17-35(18-5-1)45-34-46(54-52(53-45)36-19-6-2-7-20-36)41-26-11-10-25-40(41)37-21-16-24-39(33-37)55-48-30-15-13-28-44(48)50-49(55)32-31-43-42-27-12-14-29-47(42)56(51(43)50)38-22-8-3-9-23-38/h1-34H
InChIKeyFMAODAKWKVKXDW-UHFFFAOYSA-N
XLogP13.34
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole
CID 134598091
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
9-carbazol-9-yl-12-[4-(2,6-diphenylpyrimidin-4-yl)-3-phenylphenyl]-5-phenylindolo[3,2-c]carbazole
CID 140903215
4-(2,6-diphenylpyrimidin-4-yl)-5,12-diphenyl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[3,2-c]carbazole
CID 134598177
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-(3-phenylphenyl)-5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 155240321
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-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole
CID 138653760
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 155240549) is 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3-c3cccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is FMAODAKWKVKXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-4-17-35(18-5-1)45-34-46(54-52(53-45)36-19-6-2-7-20-36)41-26-11-10-25-40(41)37-21-16-24-39(33-37)55-48-30-15-13-28-44(48)50-49(55)32-31-43-42-27-12-14-29-47(42)56(51(43)50)38-22-8-3-9-23-38/h1-34H.
What are the key properties of 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 714.87 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155240549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).