1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole

C31H23N — CID 163207259

IUPAC1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole
SMILESCc1ccc(-c2cc(-n3c(-c4ccccc4)cc4ccccc43)c3ccccc3c2)cc1
InChIInChI=1S/C31H23N/c1-22-15-17-23(18-16-22)27-19-25-11-5-7-13-28(25)31(21-27)32-29-14-8-6-12-26(29)20-30(32)24-9-3-2-4-10-24/h2-21H,1H3
InChIKeyJEXANSJSMYCBEQ-UHFFFAOYSA-N
MW409.53 g/mol
LogP8.43
Rot. Bonds3

About 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole

1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole (PubChem CID 163207259) has the molecular formula C31H23N and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole
PubChem CID163207259
Molecular FormulaC31H23N
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC Name1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole
SMILESCc1ccc(-c2cc(-n3c(-c4ccccc4)cc4ccccc43)c3ccccc3c2)cc1
InChIInChI=1S/C31H23N/c1-22-15-17-23(18-16-22)27-19-25-11-5-7-13-28(25)31(21-27)32-29-14-8-6-12-26(29)20-30(32)24-9-3-2-4-10-24/h2-21H,1H3
InChIKeyJEXANSJSMYCBEQ-UHFFFAOYSA-N
XLogP8.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-fluoro-3-phenylnaphthalen-1-yl)-2-phenylindole
CID 175700035
1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole
CID 163207257
1,2-bis(4-methylphenyl)indole
CID 151814608
9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915426
1-(3-methylphenyl)-2-phenylindole
CID 101372494
5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline
CID 71484660
9-(3,5-diphenylphenyl)-14-(3-phenylnaphthalen-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118318953
cyclopenta-1,3-diene;2-cyclopenta-2,4-dien-1-yl-1-(3-phenylnaphthalen-1-yl)indole;iron(2+)
CID 163207255
9-[3-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 166915433
9-[3-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]carbazole
CID 167032255
2-[4-[5-(4-phenanthren-2-ylphenyl)furan-2-yl]phenyl]-1-phenylindole
CID 143850981
3-[3-[4-[3,5-di(phenanthren-2-yl)phenyl]phenyl]-5-methylphenyl]-9-phenylcarbazole
CID 170671261

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole?
The IUPAC name of 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole (CID 163207259) is 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole.
What is the SMILES notation for 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole?
The canonical SMILES for 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole is Cc1ccc(-c2cc(-n3c(-c4ccccc4)cc4ccccc43)c3ccccc3c2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole?
The InChIKey is JEXANSJSMYCBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N/c1-22-15-17-23(18-16-22)27-19-25-11-5-7-13-28(25)31(21-27)32-29-14-8-6-12-26(29)20-30(32)24-9-3-2-4-10-24/h2-21H,1H3.
What are the key properties of 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole?
1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole has a molecular weight of 409.53 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole is sourced from PubChem (CID 163207259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).