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

C86H66N4 — CID 159163258

IUPACN-[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
SMILESCN(c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C45H34N2.C41H32N2/c1-46(42-30-25-34-13-5-6-15-38(34)31-42)40-26-21-35(22-27-40)36-23-28-41(29-24-36)47(45-20-10-16-37-14-7-8-19-44(37)45)43-18-9-17-39(32-43)33-11-3-2-4-12-33;1-42(36-17-6-3-7-18-36)37-26-22-32(23-27-37)33-24-28-38(29-25-33)43(41-21-11-15-34-14-8-9-20-40(34)41)39-19-10-16-35(30-39)31-12-4-2-5-13-31/h2-32H,1H3;2-30H,1H3
InChIKeyKKTJWPNLXYQYIN-UHFFFAOYSA-N
MW1155.50 g/mol
LogP23.98
Rot. Bonds14

About 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

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 (PubChem CID 159163258) has the molecular formula C86H66N4 and a molecular weight of 1155.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID159163258
Molecular FormulaC86H66N4
Molecular Weight1155.50 g/mol
Exact Mass1154.53
IUPAC NameN-[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
SMILESCN(c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C45H34N2.C41H32N2/c1-46(42-30-25-34-13-5-6-15-38(34)31-42)40-26-21-35(22-27-40)36-23-28-41(29-24-36)47(45-20-10-16-37-14-7-8-19-44(37)45)43-18-9-17-39(32-43)33-11-3-2-4-12-33;1-42(36-17-6-3-7-18-36)37-26-22-32(23-27-37)33-24-28-38(29-25-33)43(41-21-11-15-34-14-8-9-20-40(34)41)39-19-10-16-35(30-39)31-12-4-2-5-13-31/h2-32H,1H3;2-30H,1H3
InChIKeyKKTJWPNLXYQYIN-UHFFFAOYSA-N
XLogP23.98
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.50
LogP ≤ 523.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
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
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[3-[N-naphthalen-1-yl-4-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 130281141
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
N,3-diphenyl-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161474409
N-[3-[4-(N-[4-[3-[3-(N-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 122414006
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
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-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801
N,N-bis[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-2-amine
CID 59893001

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1)c1ccc2ccccc2c1.CN(c1ccccc1)c1ccc(-c2ccc(N(c3cccc(-c4ccccc4)c3)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KKTJWPNLXYQYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2.C41H32N2/c1-46(42-30-25-34-13-5-6-15-38(34)31-42)40-26-21-35(22-27-40)36-23-28-41(29-24-36)47(45-20-10-16-37-14-7-8-19-44(37)45)43-18-9-17-39(32-43)33-11-3-2-4-12-33;1-42(36-17-6-3-7-18-36)37-26-22-32(23-27-37)33-24-28-38(29-25-33)43(41-21-11-15-34-14-8-9-20-40(34)41)39-19-10-16-35(30-39)31-12-4-2-5-13-31/h2-32H,1H3;2-30H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1155.50 g/mol, XLogP of 23.98, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159163258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).