9-(4-methylphenyl)-4a,9a-dihydrocarbazole

C19H17N — CID 70834076

IUPAC9-(4-methylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1ccc(N2c3ccccc3C3C=CC=CC32)cc1
InChIInChI=1S/C19H17N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,16,18H,1H3
InChIKeyHWCMBJSSZDXUCJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.72
Rot. Bonds1

About 9-(4-methylphenyl)-4a,9a-dihydrocarbazole

9-(4-methylphenyl)-4a,9a-dihydrocarbazole (PubChem CID 70834076) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 9-(4-methylphenyl)-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name9-(4-methylphenyl)-4a,9a-dihydrocarbazole
PubChem CID70834076
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name9-(4-methylphenyl)-4a,9a-dihydrocarbazole
SMILESCc1ccc(N2c3ccccc3C3C=CC=CC32)cc1
InChIInChI=1S/C19H17N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,16,18H,1H3
InChIKeyHWCMBJSSZDXUCJ-UHFFFAOYSA-N
XLogP4.72
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 ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
The IUPAC name of 9-(4-methylphenyl)-4a,9a-dihydrocarbazole (CID 70834076) is 9-(4-methylphenyl)-4a,9a-dihydrocarbazole.
What is the SMILES notation for 9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
The canonical SMILES for 9-(4-methylphenyl)-4a,9a-dihydrocarbazole is Cc1ccc(N2c3ccccc3C3C=CC=CC32)cc1.
What is the InChIKey of 9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
The InChIKey is HWCMBJSSZDXUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-13,16,18H,1H3.
What are the key properties of 9-(4-methylphenyl)-4a,9a-dihydrocarbazole?
9-(4-methylphenyl)-4a,9a-dihydrocarbazole has a molecular weight of 259.35 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-4a,9a-dihydrocarbazole is sourced from PubChem (CID 70834076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).