N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine

C57H40N2 — CID 170303097

IUPACN-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(Cc4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccc5ccccc5c4)c23)cc1
InChIInChI=1S/C57H40N2/c1-3-17-42(18-4-1)48-26-13-20-44-21-14-28-51(56(44)48)50-24-9-11-29-53(50)58(47-37-36-41-16-7-8-19-45(41)38-47)39-40-32-34-43(35-33-40)49-27-15-31-55-57(49)52-25-10-12-30-54(52)59(55)46-22-5-2-6-23-46/h1-38H,39H2
InChIKeyRWTZZQFHKVKYPL-UHFFFAOYSA-N
MW752.96 g/mol
LogP15.43
Rot. Bonds8

About N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine

N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine (PubChem CID 170303097) has the molecular formula C57H40N2 and a molecular weight of 752.96 g/mol. Its IUPAC name is N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
PubChem CID170303097
Molecular FormulaC57H40N2
Molecular Weight752.96 g/mol
Exact Mass752.32
IUPAC NameN-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(Cc4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccc5ccccc5c4)c23)cc1
InChIInChI=1S/C57H40N2/c1-3-17-42(18-4-1)48-26-13-20-44-21-14-28-51(56(44)48)50-24-9-11-29-53(50)58(47-37-36-41-16-7-8-19-45(41)38-47)39-40-32-34-43(35-33-40)49-27-15-31-55-57(49)52-25-10-12-30-54(52)59(55)46-22-5-2-6-23-46/h1-38H,39H2
InChIKeyRWTZZQFHKVKYPL-UHFFFAOYSA-N
XLogP15.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.96
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine (CID 170303097) is N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(Cc4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccc5ccccc5c4)c23)cc1.
What is the InChIKey of N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
The InChIKey is RWTZZQFHKVKYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2/c1-3-17-42(18-4-1)48-26-13-20-44-21-14-28-51(56(44)48)50-24-9-11-29-53(50)58(47-37-36-41-16-7-8-19-45(41)38-47)39-40-32-34-43(35-33-40)49-27-15-31-55-57(49)52-25-10-12-30-54(52)59(55)46-22-5-2-6-23-46/h1-38H,39H2.
What are the key properties of N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine has a molecular weight of 752.96 g/mol, XLogP of 15.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(9-phenylcarbazol-4-yl)phenyl]methyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170303097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).