N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine

C52H47NO — CID 164774322

IUPACN-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(C4CCCCC4)cc3)c(-c3ccc4c(c3)oc3ccccc34)cc2c1
InChIInChI=1S/C52H47NO/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)41-25-30-46(31-26-41)53(45-28-23-40(24-29-45)37-13-5-2-6-14-37)50-34-43-16-8-7-15-42(43)33-49(50)44-27-32-48-47-17-9-10-18-51(47)54-52(48)35-44/h7-10,15-37H,1-6,11-14H2
InChIKeyYUMHSUNIWSMJRJ-UHFFFAOYSA-N
MW701.95 g/mol
LogP15.64
Rot. Bonds7

About N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine

N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine (PubChem CID 164774322) has the molecular formula C52H47NO and a molecular weight of 701.95 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine
PubChem CID164774322
Molecular FormulaC52H47NO
Molecular Weight701.95 g/mol
Exact Mass701.37
IUPAC NameN-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine
SMILESc1ccc2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(C4CCCCC4)cc3)c(-c3ccc4c(c3)oc3ccccc34)cc2c1
InChIInChI=1S/C52H47NO/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)41-25-30-46(31-26-41)53(45-28-23-40(24-29-45)37-13-5-2-6-14-37)50-34-43-16-8-7-15-42(43)33-49(50)44-27-32-48-47-17-9-10-18-51(47)54-52(48)35-44/h7-10,15-37H,1-6,11-14H2
InChIKeyYUMHSUNIWSMJRJ-UHFFFAOYSA-N
XLogP15.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.95
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774604
N-(4-cyclohexyl-2-phenylphenyl)-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)phenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)-2-phenylphenyl]-N-(3-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-2-amine
CID 165016465
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-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771717
2-dibenzofuran-3-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 135277334
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121
N-(4-cyclohexylphenyl)-N-(3-dibenzothiophen-3-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 164774948
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-amine;N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-3-amine;N-(4-cyclohexylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 165099350
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170295954
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
CID 170296019
N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine
CID 165022366
2-dibenzofuran-3-yl-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326205

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine (CID 164774322) is N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine is c1ccc2cc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3ccc(C4CCCCC4)cc3)c(-c3ccc4c(c3)oc3ccccc34)cc2c1.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine?
The InChIKey is YUMHSUNIWSMJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H47NO/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)41-25-30-46(31-26-41)53(45-28-23-40(24-29-45)37-13-5-2-6-14-37)50-34-43-16-8-7-15-42(43)33-49(50)44-27-32-48-47-17-9-10-18-51(47)54-52(48)35-44/h7-10,15-37H,1-6,11-14H2.
What are the key properties of N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine?
N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine has a molecular weight of 701.95 g/mol, XLogP of 15.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine is sourced from PubChem (CID 164774322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).