1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine

C56H46N2 — CID 176611813

IUPAC1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(N(c4cc5ccccc5cc4-c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H46N2/c1-4-15-41(16-5-1)43-27-31-49(32-28-43)57(50-33-29-44(30-34-50)42-17-6-2-7-18-42)51-35-37-52(38-36-51)58(55-26-14-24-45-21-12-13-25-53(45)55)56-40-48-23-11-10-22-47(48)39-54(56)46-19-8-3-9-20-46/h1,3-5,8-16,19-40,42H,2,6-7,17-18H2
InChIKeyCACGJCALAKOXIO-UHFFFAOYSA-N
MW747.00 g/mol
LogP16.31
Rot. Bonds9

About 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine

1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 176611813) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
PubChem CID176611813
Molecular FormulaC56H46N2
Molecular Weight747.00 g/mol
Exact Mass746.37
IUPAC Name1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
SMILESc1ccc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(N(c4cc5ccccc5cc4-c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C56H46N2/c1-4-15-41(16-5-1)43-27-31-49(32-28-43)57(50-33-29-44(30-34-50)42-17-6-2-7-18-42)51-35-37-52(38-36-51)58(55-26-14-24-45-21-12-13-25-53(45)55)56-40-48-23-11-10-22-47(48)39-54(56)46-19-8-3-9-20-46/h1,3-5,8-16,19-40,42H,2,6-7,17-18H2
InChIKeyCACGJCALAKOXIO-UHFFFAOYSA-N
XLogP16.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-3-N-naphthalen-1-yl-3-N-(3-phenylnaphthalen-2-yl)benzene-1,3-diamine
CID 176611782
N-[4-[3-[4-(N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611866
N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine
CID 164774322
N-[4-[4-[4-(4-cyclohexyl-N-(4-cyclohexylphenyl)anilino)phenyl]phenyl]phenyl]-N,1-diphenylnaphthalen-2-amine
CID 176611894
N-(4-cyclohexylphenyl)-7-naphthalen-2-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 135164016
1-N-(4-cyclohexylphenyl)-1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-2-yl-4-N-(3-phenylnaphthalen-2-yl)benzene-1,4-diamine
CID 176611704
N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)-5-propan-2-ylfluoren-2-amine
CID 171740912
1-N,3-N-dinaphthalen-1-yl-1-N,3-N,4,6-tetraphenylbenzene-1,3-diamine;4,6-diphenyl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine;3-N-naphthalen-1-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine;3-N-naphthalen-2-yl-1-N,1-N,3-N,4,6-pentakis-phenylbenzene-1,3-diamine
CID 159990110
N-(4-carbazol-9-ylphenyl)-4-(4-cyclohexylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 169028413
7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158527340
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
6-N,17-N-bis(4-cyclohexylphenyl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032183

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine?
The IUPAC name of 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) is 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine is c1ccc(-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc(N(c4cc5ccccc5cc4-c4ccccc4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine?
The InChIKey is CACGJCALAKOXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2/c1-4-15-41(16-5-1)43-27-31-49(32-28-43)57(50-33-29-44(30-34-50)42-17-6-2-7-18-42)51-35-37-52(38-36-51)58(55-26-14-24-45-21-12-13-25-53(45)55)56-40-48-23-11-10-22-47(48)39-54(56)46-19-8-3-9-20-46/h1,3-5,8-16,19-40,42H,2,6-7,17-18H2.
What are the key properties of 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine?
1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 747.00 g/mol, XLogP of 16.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-cyclohexylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 176611813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).