N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C80H64N4O — CID 160743025

IUPACN-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCOc1ccc(N(C)c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1.Cc1cccc(N(C)c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c1
InChIInChI=1S/C40H32N2O.C40H32N2/c1-41(36-23-25-40(43-2)26-24-36)35-17-11-31(12-18-35)32-13-19-37(20-14-32)42(38-21-15-29-7-3-5-9-33(29)27-38)39-22-16-30-8-4-6-10-34(30)28-39;1-29-8-7-13-38(26-29)41(2)36-20-14-32(15-21-36)33-16-22-37(23-17-33)42(39-24-18-30-9-3-5-11-34(30)27-39)40-25-19-31-10-4-6-12-35(31)28-40/h3-28H,1-2H3;3-28H,1-2H3
InChIKeyRVVKBDLAJRQLMA-UHFFFAOYSA-N
MW1097.42 g/mol
LogP22.11
Rot. Bonds13

About N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 160743025) has the molecular formula C80H64N4O and a molecular weight of 1097.42 g/mol. Its IUPAC name is N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID160743025
Molecular FormulaC80H64N4O
Molecular Weight1097.42 g/mol
Exact Mass1096.51
IUPAC NameN-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCOc1ccc(N(C)c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1.Cc1cccc(N(C)c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c1
InChIInChI=1S/C40H32N2O.C40H32N2/c1-41(36-23-25-40(43-2)26-24-36)35-17-11-31(12-18-35)32-13-19-37(20-14-32)42(38-21-15-29-7-3-5-9-33(29)27-38)39-22-16-30-8-4-6-10-34(30)28-39;1-29-8-7-13-38(26-29)41(2)36-20-14-32(15-21-36)33-16-22-37(23-17-33)42(39-24-18-30-9-3-5-11-34(30)27-39)40-25-19-31-10-4-6-12-35(31)28-40/h3-28H,1-2H3;3-28H,1-2H3
InChIKeyRVVKBDLAJRQLMA-UHFFFAOYSA-N
XLogP22.11
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001097.42
LogP ≤ 522.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-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

Related Compounds

1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
1-N,4-N-bis[4-(4-methoxy-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59738736
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 160743025) is N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is COc1ccc(N(C)c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)cc1.Cc1cccc(N(C)c2ccc(-c3ccc(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)cc3)cc2)c1.
What is the InChIKey of N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is RVVKBDLAJRQLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2O.C40H32N2/c1-41(36-23-25-40(43-2)26-24-36)35-17-11-31(12-18-35)32-13-19-37(20-14-32)42(38-21-15-29-7-3-5-9-33(29)27-38)39-22-16-30-8-4-6-10-34(30)28-39;1-29-8-7-13-38(26-29)41(2)36-20-14-32(15-21-36)33-16-22-37(23-17-33)42(39-24-18-30-9-3-5-11-34(30)27-39)40-25-19-31-10-4-6-12-35(31)28-40/h3-28H,1-2H3;3-28H,1-2H3.
What are the key properties of N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 1097.42 g/mol, XLogP of 22.11, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 160743025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).