2-(1-benzyl-2-phenylindol-3-yl)quinoline

C30H22N2 — CID 101487499

IUPAC2-(1-benzyl-2-phenylindol-3-yl)quinoline
SMILESc1ccc(Cn2c(-c3ccccc3)c(-c3ccc4ccccc4n3)c3ccccc32)cc1
InChIInChI=1S/C30H22N2/c1-3-11-22(12-4-1)21-32-28-18-10-8-16-25(28)29(30(32)24-14-5-2-6-15-24)27-20-19-23-13-7-9-17-26(23)31-27/h1-20H,21H2
InChIKeyXCWZXVJMBBKCLB-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.57
Rot. Bonds4

About 2-(1-benzyl-2-phenylindol-3-yl)quinoline

2-(1-benzyl-2-phenylindol-3-yl)quinoline (PubChem CID 101487499) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-(1-benzyl-2-phenylindol-3-yl)quinoline.

Molecular Properties

Compound Name2-(1-benzyl-2-phenylindol-3-yl)quinoline
PubChem CID101487499
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name2-(1-benzyl-2-phenylindol-3-yl)quinoline
SMILESc1ccc(Cn2c(-c3ccccc3)c(-c3ccc4ccccc4n3)c3ccccc32)cc1
InChIInChI=1S/C30H22N2/c1-3-11-22(12-4-1)21-32-28-18-10-8-16-25(28)29(30(32)24-14-5-2-6-15-24)27-20-19-23-13-7-9-17-26(23)31-27/h1-20H,21H2
InChIKeyXCWZXVJMBBKCLB-UHFFFAOYSA-N
XLogP7.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
5,7-dibenzylindolo[2,3-b]carbazole-6,12-dione
CID 101168915
iridium;tris(2-phenylquinoline)
CID 122129463
dichloroplatinum;2-phenylquinoline
CID 175341425
9-[3-carbazol-9-yl-5-(6-phenyl-2-quinolin-2-ylpyrimidin-4-yl)phenyl]carbazole
CID 168797170
1-benzyl-2-phenyl-3-[5-(2-phenyl-1-benzofuran-3-yl)thiophen-2-yl]indole
CID 101397273
9-phenyl-3-(3-quinolin-2-ylphenyl)carbazole
CID 157225211
1-benzyl-2-chlorobenzimidazole
CID 3821987
2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
CID 158235124
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-2-ylphenyl)carbazole
CID 118067290
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
9-phenyl-4-quinolin-2-ylcarbazole
CID 90057431

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-phenylindol-3-yl)quinoline?
The IUPAC name of 2-(1-benzyl-2-phenylindol-3-yl)quinoline (CID 101487499) is 2-(1-benzyl-2-phenylindol-3-yl)quinoline.
What is the SMILES notation for 2-(1-benzyl-2-phenylindol-3-yl)quinoline?
The canonical SMILES for 2-(1-benzyl-2-phenylindol-3-yl)quinoline is c1ccc(Cn2c(-c3ccccc3)c(-c3ccc4ccccc4n3)c3ccccc32)cc1.
What is the InChIKey of 2-(1-benzyl-2-phenylindol-3-yl)quinoline?
The InChIKey is XCWZXVJMBBKCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-3-11-22(12-4-1)21-32-28-18-10-8-16-25(28)29(30(32)24-14-5-2-6-15-24)27-20-19-23-13-7-9-17-26(23)31-27/h1-20H,21H2.
What are the key properties of 2-(1-benzyl-2-phenylindol-3-yl)quinoline?
2-(1-benzyl-2-phenylindol-3-yl)quinoline has a molecular weight of 410.52 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-phenylindol-3-yl)quinoline is sourced from PubChem (CID 101487499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).