5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole

C52H34N4 — CID 170255412

IUPAC5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)cc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)36-29-31-39(32-30-36)46-34-45(38-21-9-3-10-22-38)53-52(54-46)56-48-28-16-14-26-42(48)49-43(37-19-7-2-8-20-37)33-44-41-25-13-15-27-47(41)55(50(44)51(49)56)40-23-11-4-12-24-40/h1-34H
InChIKeyCFJZYHOOOMENBC-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.34
Rot. Bonds6

About 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole

5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole (PubChem CID 170255412) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
PubChem CID170255412
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)cc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H34N4/c1-5-17-35(18-6-1)36-29-31-39(32-30-36)46-34-45(38-21-9-3-10-22-38)53-52(54-46)56-48-28-16-14-26-42(48)49-43(37-19-7-2-8-20-37)33-44-41-25-13-15-27-47(41)55(50(44)51(49)56)40-23-11-4-12-24-40/h1-34H
InChIKeyCFJZYHOOOMENBC-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

5-phenyl-11-(4-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255419
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 170255379
5,11-diphenyl-12-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255259
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-5-[3-[6-phenyl-2-[11-phenyl-5-[3-[6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-pyridinyl]phenyl]indolo[2,3-a]carbazol-12-yl]pyrimidin-4-yl]phenyl]indolo[2,3-a]carbazole
CID 154982787
5,11-diphenyl-12-[6-phenyl-4-[4-(3-phenylphenyl)phenyl]-2-pyridinyl]indolo[2,3-a]carbazole
CID 170255430
5-phenyl-11-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255377
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165031430
5,11-bis(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 170255408
12-(3-phenylphenyl)-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-triphenylen-2-ylindolo[2,3-a]carbazole
CID 170255337
11,12-bis(4-phenylphenyl)indolo[2,3-a]carbazole;5-(3-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;5-(4-carbazol-9-ylphenyl)-11,12-diphenylindolo[2,3-a]carbazole;11-phenyl-12-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazole
CID 160763291
12-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 138649778
12-[4,6-bis(6-phenyl-3-pyridinyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 58142345

Frequently Asked Questions

What is the IUPAC name of 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole (CID 170255412) is 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-n4c5ccccc5c5c(-c6ccccc6)cc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.
What is the InChIKey of 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is CFJZYHOOOMENBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-5-17-35(18-6-1)36-29-31-39(32-30-36)46-34-45(38-21-9-3-10-22-38)53-52(54-46)56-48-28-16-14-26-42(48)49-43(37-19-7-2-8-20-37)33-44-41-25-13-15-27-47(41)55(50(44)51(49)56)40-23-11-4-12-24-40/h1-34H.
What are the key properties of 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole?
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]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 5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 170255412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).