1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole

C27H21N — CID 163207257

IUPAC1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole
SMILESc1ccc(-c2cc3ccccc3n2-c2cc(C3CC3)cc3ccccc23)cc1
InChIInChI=1S/C27H21N/c1-2-8-20(9-3-1)26-17-22-11-5-7-13-25(22)28(26)27-18-23(19-14-15-19)16-21-10-4-6-12-24(21)27/h1-13,16-19H,14-15H2
InChIKeyNHGIHFZWSKOIIB-UHFFFAOYSA-N
MW359.47 g/mol
LogP7.33
Rot. Bonds3

About 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole

1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole (PubChem CID 163207257) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole.

Molecular Properties

Compound Name1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole
PubChem CID163207257
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole
SMILESc1ccc(-c2cc3ccccc3n2-c2cc(C3CC3)cc3ccccc23)cc1
InChIInChI=1S/C27H21N/c1-2-8-20(9-3-1)26-17-22-11-5-7-13-25(22)28(26)27-18-23(19-14-15-19)16-21-10-4-6-12-24(21)27/h1-13,16-19H,14-15H2
InChIKeyNHGIHFZWSKOIIB-UHFFFAOYSA-N
XLogP7.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-methylphenyl)naphthalen-1-yl]-2-phenylindole
CID 163207259
1-(7-fluoro-3-phenylnaphthalen-1-yl)-2-phenylindole
CID 175700035
1-cyclopropyl-2-phenylindole
CID 162400669
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
N-phenyl-N-[4-(1-phenylindol-2-yl)phenyl]naphthalen-1-amine
CID 145013973
N-phenyl-N-[4-(2-phenylindol-1-yl)phenyl]-4-[4-(N-[4-(2-phenylindol-1-yl)phenyl]anilino)phenyl]aniline
CID 144768904
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
N,N-diphenyl-4-(1-phenylindol-2-yl)aniline
CID 59993805
benzene;1-methyl-2-phenylindole
CID 158316839
dicyclohexyl-(2-phenylindol-1-yl)phosphane
CID 121235231
2-phenyl-1-pyridin-3-ylindole
CID 59214542

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole?
The IUPAC name of 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole (CID 163207257) is 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole.
What is the SMILES notation for 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole?
The canonical SMILES for 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole is c1ccc(-c2cc3ccccc3n2-c2cc(C3CC3)cc3ccccc23)cc1.
What is the InChIKey of 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole?
The InChIKey is NHGIHFZWSKOIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-2-8-20(9-3-1)26-17-22-11-5-7-13-25(22)28(26)27-18-23(19-14-15-19)16-21-10-4-6-12-24(21)27/h1-13,16-19H,14-15H2.
What are the key properties of 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole?
1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole has a molecular weight of 359.47 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylnaphthalen-1-yl)-2-phenylindole is sourced from PubChem (CID 163207257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).