N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine

C29H22N2 — CID 126631465

IUPACN-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
SMILESCN(c1ccccc1)c1cccc2c1c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C29H22N2/c1-30(23-12-3-2-4-13-23)27-16-9-17-28-29(27)25-14-7-8-15-26(25)31(28)24-19-18-21-10-5-6-11-22(21)20-24/h2-20H,1H3
InChIKeyGOWVDYPLCZLBDB-UHFFFAOYSA-N
MW398.51 g/mol
LogP7.70
Rot. Bonds3

About N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine

N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine (PubChem CID 126631465) has the molecular formula C29H22N2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
PubChem CID126631465
Molecular FormulaC29H22N2
Molecular Weight398.51 g/mol
Exact Mass398.18
IUPAC NameN-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine
SMILESCN(c1ccccc1)c1cccc2c1c1ccccc1n2-c1ccc2ccccc2c1
InChIInChI=1S/C29H22N2/c1-30(23-12-3-2-4-13-23)27-16-9-17-28-29(27)25-14-7-8-15-26(25)31(28)24-19-18-21-10-5-6-11-22(21)20-24/h2-20H,1H3
InChIKeyGOWVDYPLCZLBDB-UHFFFAOYSA-N
XLogP7.70
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
The IUPAC name of N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine (CID 126631465) is N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine.
What is the SMILES notation for N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
The canonical SMILES for N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine is CN(c1ccccc1)c1cccc2c1c1ccccc1n2-c1ccc2ccccc2c1.
What is the InChIKey of N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
The InChIKey is GOWVDYPLCZLBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2/c1-30(23-12-3-2-4-13-23)27-16-9-17-28-29(27)25-14-7-8-15-26(25)31(28)24-19-18-21-10-5-6-11-22(21)20-24/h2-20H,1H3.
What are the key properties of N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine?
N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine has a molecular weight of 398.51 g/mol, XLogP of 7.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-naphthalen-2-yl-N-phenylcarbazol-4-amine is sourced from PubChem (CID 126631465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).