N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine

C58H48N2 — CID 176611866

IUPACN-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)c4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C58H48N2/c1-5-16-43(17-6-1)44-28-35-53(36-29-44)59(51-23-9-3-10-24-51)54-37-30-45(31-38-54)49-21-15-22-50(42-49)46-32-39-55(40-33-46)60(52-25-11-4-12-26-52)57-41-34-47-18-13-14-27-56(47)58(57)48-19-7-2-8-20-48/h2-4,7-15,18-43H,1,5-6,16-17H2
InChIKeyYFOSCLYJSMOMBK-UHFFFAOYSA-N
MW773.04 g/mol
LogP16.83
Rot. Bonds10

About N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine

N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine (PubChem CID 176611866) has the molecular formula C58H48N2 and a molecular weight of 773.04 g/mol. Its IUPAC name is N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
PubChem CID176611866
Molecular FormulaC58H48N2
Molecular Weight773.04 g/mol
Exact Mass772.38
IUPAC NameN-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)c4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C58H48N2/c1-5-16-43(17-6-1)44-28-35-53(36-29-44)59(51-23-9-3-10-24-51)54-37-30-45(31-38-54)49-21-15-22-50(42-49)46-32-39-55(40-33-46)60(52-25-11-4-12-26-52)57-41-34-47-18-13-14-27-56(47)58(57)48-19-7-2-8-20-48/h2-4,7-15,18-43H,1,5-6,16-17H2
InChIKeyYFOSCLYJSMOMBK-UHFFFAOYSA-N
XLogP16.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.04
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611894
N,1-diphenyl-N-[3-[4-[3-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611838
1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611813
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 135164016
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 135164032
9-[4-(4-cyclohexylphenyl)phenyl]-N-(2,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128271
N,17-diphenyl-N-[1-(3-phenylphenyl)naphthalen-2-yl]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 171728735
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
9-N,10-N-bis(4-cyclohexylphenyl)-9-N,10-N-bis(4-methylphenyl)anthracene-9,10-diamine;9-N,10-N-bis(3,5-diphenylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-phenylphenyl)anthracene-9,10-diamine
CID 157181107
N,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-(4-cyclohexylphenyl)-9,9-dimethyl-7-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500304

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
The IUPAC name of N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine (CID 176611866) is N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine is c1ccc(-c2c(N(c3ccccc3)c3ccc(-c4cccc(-c5ccc(N(c6ccccc6)c6ccc(C7CCCCC7)cc6)cc5)c4)cc3)ccc3ccccc23)cc1.
What is the InChIKey of N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
The InChIKey is YFOSCLYJSMOMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N2/c1-5-16-43(17-6-1)44-28-35-53(36-29-44)59(51-23-9-3-10-24-51)54-37-30-45(31-38-54)49-21-15-22-50(42-49)46-32-39-55(40-33-46)60(52-25-11-4-12-26-52)57-41-34-47-18-13-14-27-56(47)58(57)48-19-7-2-8-20-48/h2-4,7-15,18-43H,1,5-6,16-17H2.
What are the key properties of N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine has a molecular weight of 773.04 g/mol, XLogP of 16.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine is sourced from PubChem (CID 176611866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).