11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole

C42H32N4 — CID 130181306

IUPAC11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)c4)c3c21
InChIInChI=1S/C42H32N4/c1-42(2)35-22-11-9-20-31(35)33-24-25-34-32-21-10-12-23-36(32)46(38(34)37(33)42)30-19-13-18-29(26-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26,41H,1-2H3,(H,43,44,45)
InChIKeyAYZBAIOUZMXPRT-UHFFFAOYSA-N
MW592.75 g/mol
LogP9.59
Rot. Bonds4

About 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole

11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole (PubChem CID 130181306) has the molecular formula C42H32N4 and a molecular weight of 592.75 g/mol. Its IUPAC name is 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
PubChem CID130181306
Molecular FormulaC42H32N4
Molecular Weight592.75 g/mol
Exact Mass592.26
IUPAC Name11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)c4)c3c21
InChIInChI=1S/C42H32N4/c1-42(2)35-22-11-9-20-31(35)33-24-25-34-32-21-10-12-23-36(32)46(38(34)37(33)42)30-19-13-18-29(26-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26,41H,1-2H3,(H,43,44,45)
InChIKeyAYZBAIOUZMXPRT-UHFFFAOYSA-N
XLogP9.59
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.75
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 67472124
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
12,12-dimethyl-11-(1-phenylbenzimidazol-5-yl)indeno[2,1-a]carbazole
CID 118502264
12,12-dimethyl-11-[3-(4,5,6-trimethylpyrimidin-2-yl)phenyl]indeno[2,1-a]carbazole
CID 139516699
8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 130289398
12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
12,12-dimethyl-11-[3-(3-methyl-2-phenyl-1,2-dihydrobenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 144548979
11-[3-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]oxyphenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 118530590
11-[4-[2,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126630778
12,12-dimethyl-11-[3-(3-methyl-2-phenylbenzimidazol-5-yl)phenyl]indeno[2,1-a]carbazole
CID 90324685
2-[4-(12,12-dimethyl-11-phenylindeno[2,1-a]carbazol-2-yl)phenyl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
CID 67473689
[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]boronic acid
CID 123843821

Frequently Asked Questions

What is the IUPAC name of 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The IUPAC name of 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole (CID 130181306) is 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The canonical SMILES for 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(C5N=C(c6ccccc6)NC(c6ccccc6)=N5)c4)c3c21.
What is the InChIKey of 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
The InChIKey is AYZBAIOUZMXPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N4/c1-42(2)35-22-11-9-20-31(35)33-24-25-34-32-21-10-12-23-36(32)46(38(34)37(33)42)30-19-13-18-29(26-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26,41H,1-2H3,(H,43,44,45).
What are the key properties of 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole?
11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole has a molecular weight of 592.75 g/mol, XLogP of 9.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole is sourced from PubChem (CID 130181306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).