N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine

C34H24N2 — CID 146293944

IUPACN-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(Nc5ccc6ccccc6c5)c4)cccc32)cc1
InChIInChI=1S/C34H24N2/c1-2-14-29(15-3-1)36-32-18-7-6-16-31(32)34-30(17-9-19-33(34)36)26-12-8-13-27(23-26)35-28-21-20-24-10-4-5-11-25(24)22-28/h1-23,35H
InChIKeyFERJITMHWIQWQB-UHFFFAOYSA-N
MW460.58 g/mol
LogP9.35
Rot. Bonds4

About N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine

N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine (PubChem CID 146293944) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
PubChem CID146293944
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC NameN-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(Nc5ccc6ccccc6c5)c4)cccc32)cc1
InChIInChI=1S/C34H24N2/c1-2-14-29(15-3-1)36-32-18-7-6-16-31(32)34-30(17-9-19-33(34)36)26-12-8-13-27(23-26)35-28-21-20-24-10-4-5-11-25(24)22-28/h1-23,35H
InChIKeyFERJITMHWIQWQB-UHFFFAOYSA-N
XLogP9.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 59.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine (CID 146293944) is N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine is c1ccc(-n2c3ccccc3c3c(-c4cccc(Nc5ccc6ccccc6c5)c4)cccc32)cc1.
What is the InChIKey of N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine?
The InChIKey is FERJITMHWIQWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-2-14-29(15-3-1)36-32-18-7-6-16-31(32)34-30(17-9-19-33(34)36)26-12-8-13-27(23-26)35-28-21-20-24-10-4-5-11-25(24)22-28/h1-23,35H.
What are the key properties of N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine?
N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine has a molecular weight of 460.58 g/mol, XLogP of 9.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 146293944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).