3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C60H55N7O — CID 168799693

IUPAC3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCc1ccc(N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5C4=CC=CCN4)c3)c3ccccc32)cc1
InChIInChI=1S/C60H55N7O/c1-39-22-32-44(33-23-39)65-38-66(52-20-11-10-19-51(52)65)45-15-14-16-46(35-45)68-54-37-53-48(47-17-8-9-18-50(47)67(53)55-21-12-13-34-61-55)36-49(54)58-63-56(40-24-28-42(29-25-40)59(2,3)4)62-57(64-58)41-26-30-43(31-27-41)60(5,6)7/h8-33,35-37,61H,34,38H2,1-7H3
InChIKeyHHQARYAXNDFHHP-UHFFFAOYSA-N
MW890.15 g/mol
LogP14.88
Rot. Bonds8

About 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 168799693) has the molecular formula C60H55N7O and a molecular weight of 890.15 g/mol. Its IUPAC name is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

Compound Name3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
PubChem CID168799693
Molecular FormulaC60H55N7O
Molecular Weight890.15 g/mol
Exact Mass889.45
IUPAC Name3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
SMILESCc1ccc(N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5C4=CC=CCN4)c3)c3ccccc32)cc1
InChIInChI=1S/C60H55N7O/c1-39-22-32-44(33-23-39)65-38-66(52-20-11-10-19-51(52)65)45-15-14-16-46(35-45)68-54-37-53-48(47-17-8-9-18-50(47)67(53)55-21-12-13-34-61-55)36-49(54)58-63-56(40-24-28-42(29-25-40)59(2,3)4)62-57(64-58)41-26-30-43(31-27-41)60(5,6)7/h8-33,35-37,61H,34,38H2,1-7H3
InChIKeyHHQARYAXNDFHHP-UHFFFAOYSA-N
XLogP14.88
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.15
LogP ≤ 514.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole with MolForge

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Related Compounds

3-(4,6-ditert-butyl-1,3,5-triazin-2-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 168799509
3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-2-[3-[3-[4-tert-butyl-2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-pyridin-2-ylcarbazole
CID 168799751
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-tert-butyl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-pyridin-2-ylcarbazole
CID 168799742
2-[3-[3-[2-(4-tert-butylphenyl)-3-methylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651137
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
2-[3-[1-[4-tert-butyl-2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-3-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176783069
2-[3-[3-[4,6-bis(2,4,6-trimethylphenyl)-1,3,5-triazin-2-yl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 176782429
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
2-[3-[3-(4-tert-butylphenyl)-5-phenyl-2H-benzimidazol-1-yl]phenoxy]-9-[4-methyl-5-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 164726988
2-[3-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)-3,6-diphenylcarbazole
CID 168780490
2-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]carbazole
CID 162696304
2-[3-[3-[2,6-bis(4-tert-butylphenyl)phenyl]benzimidazole-1,3-diium-1-yl]phenoxy]-3-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-6-tert-butyl-9-pyridin-2-ylcarbazole
CID 168799736

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The IUPAC name of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 168799693) is 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.
What is the SMILES notation for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The canonical SMILES for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is Cc1ccc(N2CN(c3cccc(Oc4cc5c(cc4-c4nc(-c6ccc(C(C)(C)C)cc6)nc(-c6ccc(C(C)(C)C)cc6)n4)c4ccccc4n5C4=CC=CCN4)c3)c3ccccc32)cc1.
What is the InChIKey of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
The InChIKey is HHQARYAXNDFHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55N7O/c1-39-22-32-44(33-23-39)65-38-66(52-20-11-10-19-51(52)65)45-15-14-16-46(35-45)68-54-37-53-48(47-17-8-9-18-50(47)67(53)55-21-12-13-34-61-55)36-49(54)58-63-56(40-24-28-42(29-25-40)59(2,3)4)62-57(64-58)41-26-30-43(31-27-41)60(5,6)7/h8-33,35-37,61H,34,38H2,1-7H3.
What are the key properties of 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?
3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 890.15 g/mol, XLogP of 14.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-9-(1,2-dihydropyridin-6-yl)-2-[3-[3-(4-methylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 168799693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).