12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole — IUPAC name, SMILES, InChIKey & properties

Name: 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole

12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 158770027) has the molecular formula C152H96N24 and a molecular weight of 2258.61 g/mol. Its IUPAC name is 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name	12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
PubChem CID	158770027
Molecular Formula	C152H96N24
Molecular Weight	2258.61 g/mol
Exact Mass	2256.82
IUPAC Name	12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
SMILES	c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncccn6)c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncn6)c5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncncn6)c5c43)n2)cc1
InChI	InChI=1S/C40H26N4.2C38H24N6.C36H22N8/c1-3-11-27(12-4-1)35-25-30(26-36(42-35)28-13-5-2-6-14-28)44-38-18-10-8-16-32(38)34-20-19-33-31-15-7-9-17-37(31)43(39(33)40(34)44)29-21-23-41-24-22-29;1-3-12-25(13-4-1)31-24-32(26-14-5-2-6-15-26)42-38(41-31)44-34-19-10-8-17-28(34)30-21-20-29-27-16-7-9-18-33(27)43(35(29)36(30)44)37-39-22-11-23-40-37;1-3-11-25(12-4-1)31-23-35(42-38(41-31)26-13-5-2-6-14-26)44-33-18-10-8-16-28(33)30-20-19-29-27-15-7-9-17-32(27)43(36(29)37(30)44)34-21-22-39-24-40-34;1-3-11-23(12-4-1)33-40-34(24-13-5-2-6-14-24)42-36(41-33)44-30-18-10-8-16-26(30)28-20-19-27-25-15-7-9-17-29(25)43(31(27)32(28)44)35-38-21-37-22-39-35/h1-26H;2*1-24H;1-22H
InChIKey	IPTCPMPYZGLGKW-UHFFFAOYSA-N
XLogP	35.18
TPSA	245.68 Å²
H-Bond Donors
H-Bond Acceptors	24
Rotatable Bonds	16
Heavy Atoms	176
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2258.61
LogP ≤ 5	35.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Analyze 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

The IUPAC name of 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (CID 158770027) is 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.

What is the SMILES notation for 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

The canonical SMILES for 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncccn6)c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccncn6)c5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ncncn6)c5c43)n2)cc1.

What is the InChIKey of 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

The InChIKey is IPTCPMPYZGLGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4.2C38H24N6.C36H22N8/c1-3-11-27(12-4-1)35-25-30(26-36(42-35)28-13-5-2-6-14-28)44-38-18-10-8-16-32(38)34-20-19-33-31-15-7-9-17-37(31)43(39(33)40(34)44)29-21-23-41-24-22-29;1-3-12-25(13-4-1)31-24-32(26-14-5-2-6-15-26)42-38(41-31)44-34-19-10-8-17-28(34)30-21-20-29-27-16-7-9-18-33(27)43(35(29)36(30)44)37-39-22-11-23-40-37;1-3-11-25(12-4-1)31-23-35(42-38(41-31)26-13-5-2-6-14-26)44-33-18-10-8-16-28(33)30-20-19-29-27-15-7-9-17-32(27)43(36(29)37(30)44)34-21-22-39-24-40-34;1-3-11-23(12-4-1)33-40-34(24-13-5-2-6-14-24)42-36(41-33)44-30-18-10-8-16-26(30)28-20-19-27-25-15-7-9-17-29(25)43(31(27)32(28)44)35-38-21-37-22-39-35/h1-26H;2*1-24H;1-22H.

What are the key properties of 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole?

Where does this data come from?

All data for 12-(2,6-diphenyl-4-pyridinyl)-11-pyridin-4-ylindolo[2,3-a]carbazole;12-(2,6-diphenylpyrimidin-4-yl)-11-pyrimidin-4-ylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-pyrimidin-2-ylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 158770027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).