1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene

C46H40N2 — CID 145105502

IUPAC1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=C(c2ccccc2C)C=CCC1.Cc1c(-c2ccccc2)n(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C32H24N2.C14H16/c1-23-28-19-11-12-20-30(28)34(32(23)26-17-9-4-10-18-26)31-22-27(24-13-5-2-6-14-24)21-29(33-31)25-15-7-3-8-16-25;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h2-22H,1H3;3,5-7,9-10H,4,8H2,1-2H3
InChIKeyKNGBIUXXHHNYLW-UHFFFAOYSA-N
MW620.84 g/mol
LogP12.45
Rot. Bonds5

About 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene

1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene (PubChem CID 145105502) has the molecular formula C46H40N2 and a molecular weight of 620.84 g/mol. Its IUPAC name is 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene.

Molecular Properties

Compound Name1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
PubChem CID145105502
Molecular FormulaC46H40N2
Molecular Weight620.84 g/mol
Exact Mass620.32
IUPAC Name1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene
SMILESCC1=C(c2ccccc2C)C=CCC1.Cc1c(-c2ccccc2)n(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc12
InChIInChI=1S/C32H24N2.C14H16/c1-23-28-19-11-12-20-30(28)34(32(23)26-17-9-4-10-18-26)31-22-27(24-13-5-2-6-14-24)21-29(33-31)25-15-7-3-8-16-25;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h2-22H,1H3;3,5-7,9-10H,4,8H2,1-2H3
InChIKeyKNGBIUXXHHNYLW-UHFFFAOYSA-N
XLogP12.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

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Related Compounds

3-[9-[4-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 170005481
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
9-(4,6-diphenyl-2-pyridinyl)-2-(2-ethenylphenyl)-1-methylcarbazole
CID 163744055
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-(4-naphthalen-1-ylphenyl)carbazole
CID 71286800
9-[5-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]carbazole
CID 142508357
3-carbazol-9-yl-9-[4-[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 126730487
7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-7,8,9,10-tetrahydroindolo[3,2-b]carbazole
CID 90055114
3-[9-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-3-yl]-9-(4,6-diphenyl-2-pyridinyl)-6-phenylcarbazole
CID 88866629
9-(4,6-diphenyl-2-pyridinyl)-3-[5-[9-(4,6-diphenyl-2-pyridinyl)carbazol-4-yl]-4-phenyl-1,2,4-triazol-3-yl]carbazole
CID 122594049
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-(4,6-diphenyl-2-pyridinyl)carbazole
CID 118014177
3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylcarbazole;2,4-diphenyl-6-[2-[2-(2-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 158567495

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The IUPAC name of 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene (CID 145105502) is 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene.
What is the SMILES notation for 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The canonical SMILES for 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene is CC1=C(c2ccccc2C)C=CCC1.Cc1c(-c2ccccc2)n(-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c2ccccc12.
What is the InChIKey of 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
The InChIKey is KNGBIUXXHHNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2.C14H16/c1-23-28-19-11-12-20-30(28)34(32(23)26-17-9-4-10-18-26)31-22-27(24-13-5-2-6-14-24)21-29(33-31)25-15-7-3-8-16-25;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h2-22H,1H3;3,5-7,9-10H,4,8H2,1-2H3.
What are the key properties of 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene?
1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene has a molecular weight of 620.84 g/mol, XLogP of 12.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-diphenyl-2-pyridinyl)-3-methyl-2-phenylindole;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene is sourced from PubChem (CID 145105502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).