3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole

C32H29N — CID 175551247

IUPAC3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole
SMILESCc1c2c(c(-c3ccccc3C(C)C)n1-c1cccc3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C32H29N/c1-21(2)25-14-8-9-17-29(25)32-31-26(20-19-24-12-5-7-16-28(24)31)22(3)33(32)30-18-10-13-23-11-4-6-15-27(23)30/h4-18,21H,19-20H2,1-3H3
InChIKeyZFVPNBPDZNOSTD-UHFFFAOYSA-N
MW427.59 g/mol
LogP8.49
Rot. Bonds3

About 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole

3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole (PubChem CID 175551247) has the molecular formula C32H29N and a molecular weight of 427.59 g/mol. Its IUPAC name is 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole.

Molecular Properties

Compound Name3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole
PubChem CID175551247
Molecular FormulaC32H29N
Molecular Weight427.59 g/mol
Exact Mass427.23
IUPAC Name3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole
SMILESCc1c2c(c(-c3ccccc3C(C)C)n1-c1cccc3ccccc13)-c1ccccc1CC2
InChIInChI=1S/C32H29N/c1-21(2)25-14-8-9-17-29(25)32-31-26(20-19-24-12-5-7-16-28(24)31)22(3)33(32)30-18-10-13-23-11-4-6-15-27(23)30/h4-18,21H,19-20H2,1-3H3
InChIKeyZFVPNBPDZNOSTD-UHFFFAOYSA-N
XLogP8.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.59
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole?
The IUPAC name of 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole (CID 175551247) is 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole.
What is the SMILES notation for 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole?
The canonical SMILES for 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole is Cc1c2c(c(-c3ccccc3C(C)C)n1-c1cccc3ccccc13)-c1ccccc1CC2.
What is the InChIKey of 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole?
The InChIKey is ZFVPNBPDZNOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N/c1-21(2)25-14-8-9-17-29(25)32-31-26(20-19-24-12-5-7-16-28(24)31)22(3)33(32)30-18-10-13-23-11-4-6-15-27(23)30/h4-18,21H,19-20H2,1-3H3.
What are the key properties of 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole?
3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole has a molecular weight of 427.59 g/mol, XLogP of 8.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-naphthalen-1-yl-1-(2-propan-2-ylphenyl)-4,5-dihydrobenzo[e]isoindole is sourced from PubChem (CID 175551247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).