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

C84H66N4 — CID 158523438

IUPACN-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
SMILESCN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc2ccccc2c1.CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C43H34N2.C41H32N2/c1-44(39-25-17-35(18-26-39)33-11-5-2-6-12-33)40-27-19-37(20-28-40)38-23-31-43(32-24-38)45(41-15-9-4-10-16-41)42-29-21-36(22-30-42)34-13-7-3-8-14-34;1-42(41-29-22-32-12-8-9-13-36(32)30-41)37-23-16-34(17-24-37)35-20-27-40(28-21-35)43(38-14-6-3-7-15-38)39-25-18-33(19-26-39)31-10-4-2-5-11-31/h2-32H,1H3;2-30H,1H3
InChIKeyHMMQULWZMWFAGC-UHFFFAOYSA-N
MW1131.48 g/mol
LogP23.34
Rot. Bonds15

About 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

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 (PubChem CID 158523438) has the molecular formula C84H66N4 and a molecular weight of 1131.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID158523438
Molecular FormulaC84H66N4
Molecular Weight1131.48 g/mol
Exact Mass1130.53
IUPAC NameN-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
SMILESCN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc2ccccc2c1.CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C43H34N2.C41H32N2/c1-44(39-25-17-35(18-26-39)33-11-5-2-6-12-33)40-27-19-37(20-28-40)38-23-31-43(32-24-38)45(41-15-9-4-10-16-41)42-29-21-36(22-30-42)34-13-7-3-8-14-34;1-42(41-29-22-32-12-8-9-13-36(32)30-41)37-23-16-34(17-24-37)35-20-27-40(28-21-35)43(38-14-6-3-7-15-38)39-25-18-33(19-26-39)31-10-4-2-5-11-31/h2-32H,1H3;2-30H,1H3
InChIKeyHMMQULWZMWFAGC-UHFFFAOYSA-N
XLogP23.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.48
LogP ≤ 523.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]anthracen-2-amine
CID 59431583
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
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-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
CID 145077482
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1)c1ccc2ccccc2c1.CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is HMMQULWZMWFAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2.C41H32N2/c1-44(39-25-17-35(18-26-39)33-11-5-2-6-12-33)40-27-19-37(20-28-40)38-23-31-43(32-24-38)45(41-15-9-4-10-16-41)42-29-21-36(22-30-42)34-13-7-3-8-14-34;1-42(41-29-22-32-12-8-9-13-36(32)30-41)37-23-16-34(17-24-37)35-20-27-40(28-21-35)43(38-14-6-3-7-15-38)39-25-18-33(19-26-39)31-10-4-2-5-11-31/h2-32H,1H3;2-30H,1H3.
What are the key properties of 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?
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 has a molecular weight of 1131.48 g/mol, XLogP of 23.34, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158523438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).