12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole

C98H64N8 — CID 159277893

IUPAC12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1
InChIInChI=1S/C52H34N4.C46H30N4/c1-4-14-35(15-5-1)37-24-28-39(29-25-37)46-34-49(54-52(53-46)40-30-26-38(27-31-40)36-16-6-2-7-17-36)56-48-23-13-11-21-43(48)45-33-32-44-42-20-10-12-22-47(42)55(50(44)51(45)56)41-18-8-3-9-19-41;1-4-15-31(16-5-1)33-19-14-20-34(29-33)46-47-40(32-17-6-2-7-18-32)30-43(48-46)50-42-26-13-11-24-37(42)39-28-27-38-36-23-10-12-25-41(36)49(44(38)45(39)50)35-21-8-3-9-22-35/h1-34H;1-30H
InChIKeyKYNRSJQWBWNYIP-UHFFFAOYSA-N
MW1353.65 g/mol
LogP25.01
Rot. Bonds11

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

12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole (PubChem CID 159277893) has the molecular formula C98H64N8 and a molecular weight of 1353.65 g/mol. Its IUPAC name is 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
PubChem CID159277893
Molecular FormulaC98H64N8
Molecular Weight1353.65 g/mol
Exact Mass1352.53
IUPAC Name12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1
InChIInChI=1S/C52H34N4.C46H30N4/c1-4-14-35(15-5-1)37-24-28-39(29-25-37)46-34-49(54-52(53-46)40-30-26-38(27-31-40)36-16-6-2-7-17-36)56-48-23-13-11-21-43(48)45-33-32-44-42-20-10-12-22-47(42)55(50(44)51(45)56)41-18-8-3-9-19-41;1-4-15-31(16-5-1)33-19-14-20-34(29-33)46-47-40(32-17-6-2-7-18-32)30-43(48-46)50-42-26-13-11-24-37(42)39-28-27-38-36-23-10-12-25-41(36)49(44(38)45(39)50)35-21-8-3-9-22-35/h1-34H;1-30H
InChIKeyKYNRSJQWBWNYIP-UHFFFAOYSA-N
XLogP25.01
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001353.65
LogP ≤ 525.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 121385294
12-(2,6-diphenylpyrimidin-4-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 121385306
11-(4-phenylphenyl)-12-[2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole
CID 174179607
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;11-phenyl-12-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[2,3-a]carbazole;11-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 161434271
12-(3-phenylphenyl)-11-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385286
11-phenyl-12-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169014169
5-phenyl-11-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]indolo[3,2-b]carbazole
CID 139496867
11-(4-phenylphenyl)-12-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 162362852
11-(3-phenylphenyl)-12-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 162151887
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 158245863
12-[4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 155240392
12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 169037027

Frequently Asked Questions

What is the IUPAC name of 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole?
The IUPAC name of 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole (CID 159277893) is 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1.
What is the InChIKey of 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole?
The InChIKey is KYNRSJQWBWNYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4.C46H30N4/c1-4-14-35(15-5-1)37-24-28-39(29-25-37)46-34-49(54-52(53-46)40-30-26-38(27-31-40)36-16-6-2-7-17-36)56-48-23-13-11-21-43(48)45-33-32-44-42-20-10-12-22-47(42)55(50(44)51(45)56)41-18-8-3-9-19-41;1-4-15-31(16-5-1)33-19-14-20-34(29-33)46-47-40(32-17-6-2-7-18-32)30-43(48-46)50-42-26-13-11-24-37(42)39-28-27-38-36-23-10-12-25-41(36)49(44(38)45(39)50)35-21-8-3-9-22-35/h1-34H;1-30H.
What are the key properties of 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole?
12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole has a molecular weight of 1353.65 g/mol, XLogP of 25.01, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 159277893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).