7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine

C40H28N2 — CID 146573850

IUPAC7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C40H28N2/c1-4-14-33(15-5-1)41(34-16-6-2-7-17-34)36-23-25-38-37-24-22-32(31-21-20-29-12-10-11-13-30(29)26-31)27-39(37)42(40(38)28-36)35-18-8-3-9-19-35/h1-28H
InChIKeyRDSNBKOGHABXER-UHFFFAOYSA-N
MW536.68 g/mol
LogP11.07
Rot. Bonds5

About 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine

7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine (PubChem CID 146573850) has the molecular formula C40H28N2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
PubChem CID146573850
Molecular FormulaC40H28N2
Molecular Weight536.68 g/mol
Exact Mass536.23
IUPAC Name7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C40H28N2/c1-4-14-33(15-5-1)41(34-16-6-2-7-17-34)36-23-25-38-37-24-22-32(31-21-20-29-12-10-11-13-30(29)26-31)27-39(37)42(40(38)28-36)35-18-8-3-9-19-35/h1-28H
InChIKeyRDSNBKOGHABXER-UHFFFAOYSA-N
XLogP11.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine?
The IUPAC name of 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine (CID 146573850) is 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine.
What is the SMILES notation for 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine?
The canonical SMILES for 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine is c1ccc(N(c2ccccc2)c2ccc3c4ccc(-c5ccc6ccccc6c5)cc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine?
The InChIKey is RDSNBKOGHABXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N2/c1-4-14-33(15-5-1)41(34-16-6-2-7-17-34)36-23-25-38-37-24-22-32(31-21-20-29-12-10-11-13-30(29)26-31)27-39(37)42(40(38)28-36)35-18-8-3-9-19-35/h1-28H.
What are the key properties of 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine?
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine has a molecular weight of 536.68 g/mol, XLogP of 11.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine is sourced from PubChem (CID 146573850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).