N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine

C44H34N2 — CID 89265145

IUPACN,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine
SMILESCc1cccc2cc3cc(N(C)c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)ccc3cc12
InChIInChI=1S/C44H34N2/c1-31-10-8-13-36-28-37-29-41(27-22-35(37)30-43(31)36)45(2)38-23-18-32(19-24-38)33-20-25-40(26-21-33)46(39-14-4-3-5-15-39)44-17-9-12-34-11-6-7-16-42(34)44/h3-30H,1-2H3
InChIKeyCFSPODQYRNAGDC-UHFFFAOYSA-N
MW590.77 g/mol
LogP12.36
Rot. Bonds6

About N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine

N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine (PubChem CID 89265145) has the molecular formula C44H34N2 and a molecular weight of 590.77 g/mol. Its IUPAC name is N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine
PubChem CID89265145
Molecular FormulaC44H34N2
Molecular Weight590.77 g/mol
Exact Mass590.27
IUPAC NameN,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine
SMILESCc1cccc2cc3cc(N(C)c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)ccc3cc12
InChIInChI=1S/C44H34N2/c1-31-10-8-13-36-28-37-29-41(27-22-35(37)30-43(31)36)45(2)38-23-18-32(19-24-38)33-20-25-40(26-21-33)46(39-14-4-3-5-15-39)44-17-9-12-34-11-6-7-16-42(34)44/h3-30H,1-2H3
InChIKeyCFSPODQYRNAGDC-UHFFFAOYSA-N
XLogP12.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.77
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-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

N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine;N-methyl-N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 159163258
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158106660
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 162038104
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746
1-N-methyl-4-N,4-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-naphthalen-1-yl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-1-N-naphthalen-2-yl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 159975441
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine;N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160818621
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
1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine
CID 158312498

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine?
The IUPAC name of N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine (CID 89265145) is N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine?
The canonical SMILES for N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine is Cc1cccc2cc3cc(N(C)c4ccc(-c5ccc(N(c6ccccc6)c6cccc7ccccc67)cc5)cc4)ccc3cc12.
What is the InChIKey of N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine?
The InChIKey is CFSPODQYRNAGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H34N2/c1-31-10-8-13-36-28-37-29-41(27-22-35(37)30-43(31)36)45(2)38-23-18-32(19-24-38)33-20-25-40(26-21-33)46(39-14-4-3-5-15-39)44-17-9-12-34-11-6-7-16-42(34)44/h3-30H,1-2H3.
What are the key properties of N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine?
N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine has a molecular weight of 590.77 g/mol, XLogP of 12.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anthracen-2-amine is sourced from PubChem (CID 89265145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).