benzene;1-methyl-2-phenylindole

C21H19N — CID 158316839

IUPACbenzene;1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)cc2ccccc21.c1ccccc1
InChIInChI=1S/C15H13N.C6H6/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-2-4-6-5-3-1/h2-11H,1H3;1-6H
InChIKeyGOJAIGCNEIJFKQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.53
Rot. Bonds1

About benzene;1-methyl-2-phenylindole

benzene;1-methyl-2-phenylindole (PubChem CID 158316839) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is benzene;1-methyl-2-phenylindole.

Molecular Properties

Compound Namebenzene;1-methyl-2-phenylindole
PubChem CID158316839
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Namebenzene;1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)cc2ccccc21.c1ccccc1
InChIInChI=1S/C15H13N.C6H6/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-2-4-6-5-3-1/h2-11H,1H3;1-6H
InChIKeyGOJAIGCNEIJFKQ-UHFFFAOYSA-N
XLogP5.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-[4-[2-(4-phenylphenyl)ethenyl]phenyl]indole
CID 54426716
5-(1-methylindol-2-yl)pyridin-3-amine
CID 58215579
trimethyl-(2-phenylindol-1-yl)silane
CID 622110
1-methyl-2-phenylindole-5-sulfonic acid
CID 15768512
2-(2-bromophenyl)-1-methylindole
CID 127263547
N'-(1-methyl-2-phenylindol-5-yl)ethanimidamide
CID 11242498
1-pentyl-2-phenylindole
CID 54214068
4-(1-methyl-2-phenylindol-5-yl)morpholine
CID 102182006
CID 175336040
CID 175336040
1-ethoxy-2-phenylindole
CID 21443598
9-[1-methyl-2-(10-phenylanthracen-9-yl)indol-5-yl]carbazole
CID 58991797
1-(3-methylbut-3-enyl)-2-phenylindole
CID 114476740

Frequently Asked Questions

What is the IUPAC name of benzene;1-methyl-2-phenylindole?
The IUPAC name of benzene;1-methyl-2-phenylindole (CID 158316839) is benzene;1-methyl-2-phenylindole.
What is the SMILES notation for benzene;1-methyl-2-phenylindole?
The canonical SMILES for benzene;1-methyl-2-phenylindole is Cn1c(-c2ccccc2)cc2ccccc21.c1ccccc1.
What is the InChIKey of benzene;1-methyl-2-phenylindole?
The InChIKey is GOJAIGCNEIJFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N.C6H6/c1-16-14-10-6-5-9-13(14)11-15(16)12-7-3-2-4-8-12;1-2-4-6-5-3-1/h2-11H,1H3;1-6H.
What are the key properties of benzene;1-methyl-2-phenylindole?
benzene;1-methyl-2-phenylindole has a molecular weight of 285.39 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-methyl-2-phenylindole is sourced from PubChem (CID 158316839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).