N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

C48H37N — CID 145390574

IUPACN-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESC/C=C\c1c(C)cccc1-c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C48H37N/c1-3-11-43-34(2)12-8-19-44(43)37-22-28-40(29-23-37)49(41-30-24-38(25-31-41)47-20-9-15-35-13-4-6-17-45(35)47)42-32-26-39(27-33-42)48-21-10-16-36-14-5-7-18-46(36)48/h3-33H,1-2H3/b11-3-
InChIKeyCDRGLYDRBKEFII-JYOAFUTRSA-N
MW627.83 g/mol
LogP13.81
Rot. Bonds7

About N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline

N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 145390574) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID145390574
Molecular FormulaC48H37N
Molecular Weight627.83 g/mol
Exact Mass627.29
IUPAC NameN-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESC/C=C\c1c(C)cccc1-c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C48H37N/c1-3-11-43-34(2)12-8-19-44(43)37-22-28-40(29-23-37)49(41-30-24-38(25-31-41)47-20-9-15-35-13-4-6-17-45(35)47)42-32-26-39(27-33-42)48-21-10-16-36-14-5-7-18-46(36)48/h3-33H,1-2H3/b11-3-
InChIKeyCDRGLYDRBKEFII-JYOAFUTRSA-N
XLogP13.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585
N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline
CID 134194343
N-[3-[3-[3-(N-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 145442192
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-[(Z)-prop-1-enyl]dibenzofuran-2-yl]phenyl]phenyl]aniline
CID 122600476
4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155377469
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 145390574) is N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is C/C=C\c1c(C)cccc1-c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is CDRGLYDRBKEFII-JYOAFUTRSA-N. The full InChI is InChI=1S/C48H37N/c1-3-11-43-34(2)12-8-19-44(43)37-22-28-40(29-23-37)49(41-30-24-38(25-31-41)47-20-9-15-35-13-4-6-17-45(35)47)42-32-26-39(27-33-42)48-21-10-16-36-14-5-7-18-46(36)48/h3-33H,1-2H3/b11-3-.
What are the key properties of N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline has a molecular weight of 627.83 g/mol, XLogP of 13.81, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-2-[(Z)-prop-1-enyl]phenyl]phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 145390574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).