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

C64H58N2 — CID 176611894

IUPACN-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(C7CCCCC7)cc6)c6ccc(C7CCCCC7)cc6)cc5)cc4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C64H58N2/c1-5-15-47(16-6-1)51-29-38-58(39-30-51)65(59-40-31-52(32-41-59)48-17-7-2-8-18-48)60-42-33-53(34-43-60)49-25-27-50(28-26-49)54-35-44-61(45-36-54)66(57-22-11-4-12-23-57)63-46-37-55-19-13-14-24-62(55)64(63)56-20-9-3-10-21-56/h3-4,9-14,19-48H,1-2,5-8,15-18H2
InChIKeyBPCIYNYBWFYKSG-UHFFFAOYSA-N
MW855.18 g/mol
LogP18.88
Rot. Bonds11

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

N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine (PubChem CID 176611894) has the molecular formula C64H58N2 and a molecular weight of 855.18 g/mol. Its IUPAC name is N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
PubChem CID176611894
Molecular FormulaC64H58N2
Molecular Weight855.18 g/mol
Exact Mass854.46
IUPAC NameN-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
SMILESc1ccc(-c2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(C7CCCCC7)cc6)c6ccc(C7CCCCC7)cc6)cc5)cc4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C64H58N2/c1-5-15-47(16-6-1)51-29-38-58(39-30-51)65(59-40-31-52(32-41-59)48-17-7-2-8-18-48)60-42-33-53(34-43-60)49-25-27-50(28-26-49)54-35-44-61(45-36-54)66(57-22-11-4-12-23-57)63-46-37-55-19-13-14-24-62(55)64(63)56-20-9-3-10-21-56/h3-4,9-14,19-48H,1-2,5-8,15-18H2
InChIKeyBPCIYNYBWFYKSG-UHFFFAOYSA-N
XLogP18.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.18
LogP ≤ 518.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine with MolForge

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Related Compounds

N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611866
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,1-diphenyl-N-[4-[4-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 176611759
N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774786
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 135164016
9-[4-(4-cyclohexylphenyl)phenyl]-N-(2,4-diphenylphenyl)-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128271
N-(4-cyclopentylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774673
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 135164032
4-N-[4-(4-cyclopropylphenyl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 54264729
1-N-(4-cyclohexylphenyl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-2-yl-1-N-phenyl-5-(1-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 177286768
N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 177098573

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine (CID 176611894) is N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine is c1ccc(-c2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccc(N(c6ccc(C7CCCCC7)cc6)c6ccc(C7CCCCC7)cc6)cc5)cc4)cc3)ccc3ccccc23)cc1.
What is the InChIKey of N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
The InChIKey is BPCIYNYBWFYKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N2/c1-5-15-47(16-6-1)51-29-38-58(39-30-51)65(59-40-31-52(32-41-59)48-17-7-2-8-18-48)60-42-33-53(34-43-60)49-25-27-50(28-26-49)54-35-44-61(45-36-54)66(57-22-11-4-12-23-57)63-46-37-55-19-13-14-24-62(55)64(63)56-20-9-3-10-21-56/h3-4,9-14,19-48H,1-2,5-8,15-18H2.
What are the key properties of N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine?
N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine has a molecular weight of 855.18 g/mol, XLogP of 18.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine is sourced from PubChem (CID 176611894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).