2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole

C19H17N — CID 12552017

IUPAC2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole
SMILESCN1Cc2cc3ccccc3c(-c3ccccc3)c2C1
InChIInChI=1S/C19H17N/c1-20-12-16-11-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKeySVVLXVUDHJWLCH-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.45
Rot. Bonds1

About 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole

2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole (PubChem CID 12552017) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole.

Molecular Properties

Compound Name2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole
PubChem CID12552017
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole
SMILESCN1Cc2cc3ccccc3c(-c3ccccc3)c2C1
InChIInChI=1S/C19H17N/c1-20-12-16-11-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKeySVVLXVUDHJWLCH-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-phenyl-2,3-dihydro-1H-benzo[f]isoindole
CID 132580543
4-phenyl-3H-cyclopenta[b]naphthalene
CID 23626827
9-(3-anthracen-9-ylphenyl)-10-phenylanthracene
CID 58321138
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819
1-iodo-10-phenylanthracene
CID 141156342
1-(3-methyl-4-phenylnaphthalen-2-yl)-9H-fluorene
CID 87557291
3-hydroxy-4-phenylnaphthalene-2-carboxamide
CID 20573935
3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
4-(4-spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium]-4-ylphenyl)spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] dibromide
CID 44659271
9-[4-[4-[4-(1,2-dihydroanthracen-9-yl)phenyl]-2,3-diphenylcyclopenta-1,3-dien-1-yl]phenyl]anthracene
CID 143850889
2-chloro-1,3-diphenylnaphthalene
CID 12697982

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole?
The IUPAC name of 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole (CID 12552017) is 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole.
What is the SMILES notation for 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole?
The canonical SMILES for 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole is CN1Cc2cc3ccccc3c(-c3ccccc3)c2C1.
What is the InChIKey of 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole?
The InChIKey is SVVLXVUDHJWLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-20-12-16-11-15-9-5-6-10-17(15)19(18(16)13-20)14-7-3-2-4-8-14/h2-11H,12-13H2,1H3.
What are the key properties of 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole?
2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole has a molecular weight of 259.35 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-1,3-dihydrobenzo[f]isoindole is sourced from PubChem (CID 12552017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).