N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C50H40N2 — CID 145442192

IUPACN-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC/C=C\c1c(C)cccc1N(c1ccccc1)c1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C50H40N2/c1-3-17-47-37(2)18-12-32-49(47)51(43-25-6-4-7-26-43)45-29-14-23-41(35-45)39-21-13-22-40(34-39)42-24-15-30-46(36-42)52(44-27-8-5-9-28-44)50-33-16-20-38-19-10-11-31-48(38)50/h3-36H,1-2H3/b17-3-
InChIKeyXRRSJMRNSFPCIE-YPEHOIGNSA-N
MW668.88 g/mol
LogP14.45
Rot. Bonds9

About N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 145442192) has the molecular formula C50H40N2 and a molecular weight of 668.88 g/mol. Its IUPAC name is N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID145442192
Molecular FormulaC50H40N2
Molecular Weight668.88 g/mol
Exact Mass668.32
IUPAC NameN-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESC/C=C\c1c(C)cccc1N(c1ccccc1)c1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1
InChIInChI=1S/C50H40N2/c1-3-17-47-37(2)18-12-32-49(47)51(43-25-6-4-7-26-43)45-29-14-23-41(35-45)39-21-13-22-40(34-39)42-24-15-30-46(36-42)52(44-27-8-5-9-28-44)50-33-16-20-38-19-10-11-31-48(38)50/h3-36H,1-2H3/b17-3-
InChIKeyXRRSJMRNSFPCIE-YPEHOIGNSA-N
XLogP14.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.88
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-[4-(N-[2-[(Z)-but-1-en-3-ynyl]-3-methylphenyl]anilino)-2-methylphenyl]-3-methylphenyl]-N-phenylnaphthalen-1-amine
CID 129311823
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-[3-[3-(3-bromophenyl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121327934
N-(3,4-dimethylphenyl)-N-phenylnaphthalen-1-amine
CID 123561846
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-[4-[4-(2-ethenyl-3-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 143619876
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-[3-[4-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-5,6-dihydronaphthalen-1-amine
CID 145093930

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 145442192) is N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is C/C=C\c1c(C)cccc1N(c1ccccc1)c1cccc(-c2cccc(-c3cccc(N(c4ccccc4)c4cccc5ccccc45)c3)c2)c1.
What is the InChIKey of N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is XRRSJMRNSFPCIE-YPEHOIGNSA-N. The full InChI is InChI=1S/C50H40N2/c1-3-17-47-37(2)18-12-32-49(47)51(43-25-6-4-7-26-43)45-29-14-23-41(35-45)39-21-13-22-40(34-39)42-24-15-30-46(36-42)52(44-27-8-5-9-28-44)50-33-16-20-38-19-10-11-31-48(38)50/h3-36H,1-2H3/b17-3-.
What are the key properties of N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 668.88 g/mol, XLogP of 14.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 145442192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).