N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C50H35N — CID 135163982

IUPACN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccccc5cc4-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C50H35N/c1-3-11-36(12-4-1)39-21-27-46(28-22-39)51(47-29-23-40(24-30-47)37-13-5-2-6-14-37)48-31-25-41(26-32-48)49-34-43-17-9-10-18-44(43)35-50(49)45-20-19-38-15-7-8-16-42(38)33-45/h1-35H
InChIKeyVPWJCSDMYLPRQR-UHFFFAOYSA-N
MW649.84 g/mol
LogP14.13
Rot. Bonds7

About N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 135163982) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID135163982
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccccc5cc4-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C50H35N/c1-3-11-36(12-4-1)39-21-27-46(28-22-39)51(47-29-23-40(24-30-47)37-13-5-2-6-14-37)48-31-25-41(26-32-48)49-34-43-17-9-10-18-44(43)35-50(49)45-20-19-38-15-7-8-16-42(38)33-45/h1-35H
InChIKeyVPWJCSDMYLPRQR-UHFFFAOYSA-N
XLogP14.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161079097
3-N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588253
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 167003685
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-(2-phenylphenyl)naphthalen-2-yl]phenyl]aniline
CID 139352789
methane;N-[4-(4-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(5-naphthalen-2-ylnaphthalen-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 157113671
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
3-N-(3-naphthalen-2-ylnaphthalen-2-yl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 176588172
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-(2,3,5-triphenylphenyl)phenyl]phenyl]aniline
CID 175802280
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-3-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566338
16-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031712
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 135163982) is N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5ccccc5cc4-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is VPWJCSDMYLPRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-3-11-36(12-4-1)39-21-27-46(28-22-39)51(47-29-23-40(24-30-47)37-13-5-2-6-14-37)48-31-25-41(26-32-48)49-34-43-17-9-10-18-44(43)35-50(49)45-20-19-38-15-7-8-16-42(38)33-45/h1-35H.
What are the key properties of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 649.84 g/mol, XLogP of 14.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 135163982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).