9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine

C23H20N2 — CID 149003548

IUPAC9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine
SMILESCn1c2c(c3cc(Nc4ccc5ccccc5c4)ccc31)CCC=C2
InChIInChI=1S/C23H20N2/c1-25-22-9-5-4-8-20(22)21-15-19(12-13-23(21)25)24-18-11-10-16-6-2-3-7-17(16)14-18/h2-3,5-7,9-15,24H,4,8H2,1H3
InChIKeyQADBUFFLYBHFGI-UHFFFAOYSA-N
MW324.43 g/mol
LogP6.03
Rot. Bonds2

About 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine

9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine (PubChem CID 149003548) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine.

Molecular Properties

Compound Name9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine
PubChem CID149003548
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine
SMILESCn1c2c(c3cc(Nc4ccc5ccccc5c4)ccc31)CCC=C2
InChIInChI=1S/C23H20N2/c1-25-22-9-5-4-8-20(22)21-15-19(12-13-23(21)25)24-18-11-10-16-6-2-3-7-17(16)14-18/h2-3,5-7,9-15,24H,4,8H2,1H3
InChIKeyQADBUFFLYBHFGI-UHFFFAOYSA-N
XLogP6.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine?
The IUPAC name of 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine (CID 149003548) is 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine.
What is the SMILES notation for 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine?
The canonical SMILES for 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine is Cn1c2c(c3cc(Nc4ccc5ccccc5c4)ccc31)CCC=C2.
What is the InChIKey of 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine?
The InChIKey is QADBUFFLYBHFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2/c1-25-22-9-5-4-8-20(22)21-15-19(12-13-23(21)25)24-18-11-10-16-6-2-3-7-17(16)14-18/h2-3,5-7,9-15,24H,4,8H2,1H3.
What are the key properties of 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine?
9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine has a molecular weight of 324.43 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-naphthalen-2-yl-5,6-dihydrocarbazol-3-amine is sourced from PubChem (CID 149003548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).