N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine

C52H41NO — CID 168771717

IUPACN-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4cc3C3CCCCC3)cc2)cc1
InChIInChI=1S/C52H41NO/c1-4-15-36(16-5-1)44-24-14-25-45(37-17-6-2-7-18-37)52(44)39-27-29-42(30-28-39)53(43-31-32-47-46-23-12-13-26-50(46)54-51(47)35-43)49-34-41-22-11-10-21-40(41)33-48(49)38-19-8-3-9-20-38/h1-2,4-7,10-18,21-35,38H,3,8-9,19-20H2
InChIKeyINELZIJQZMCCHX-UHFFFAOYSA-N
MW695.91 g/mol
LogP15.26
Rot. Bonds7

About N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine

N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 168771717) has the molecular formula C52H41NO and a molecular weight of 695.91 g/mol. Its IUPAC name is N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID168771717
Molecular FormulaC52H41NO
Molecular Weight695.91 g/mol
Exact Mass695.32
IUPAC NameN-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4cc3C3CCCCC3)cc2)cc1
InChIInChI=1S/C52H41NO/c1-4-15-36(16-5-1)44-24-14-25-45(37-17-6-2-7-18-37)52(44)39-27-29-42(30-28-39)53(43-31-32-47-46-23-12-13-26-50(46)54-51(47)35-43)49-34-41-22-11-10-21-40(41)33-48(49)38-19-8-3-9-20-38/h1-2,4-7,10-18,21-35,38H,3,8-9,19-20H2
InChIKeyINELZIJQZMCCHX-UHFFFAOYSA-N
XLogP15.26
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.91
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclohexylphenyl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771617
N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzothiophen-3-amine
CID 168771671
N-(2,3-diphenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 174254313
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 170304662
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288
N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-3-dibenzofuran-3-ylnaphthalen-2-amine
CID 164774322
N-[2-(4-phenylphenyl)phenyl]-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 168789729
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
CID 170295954

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine (CID 168771717) is N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cc4ccccc4cc3C3CCCCC3)cc2)cc1.
What is the InChIKey of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is INELZIJQZMCCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41NO/c1-4-15-36(16-5-1)44-24-14-25-45(37-17-6-2-7-18-37)52(44)39-27-29-42(30-28-39)53(43-31-32-47-46-23-12-13-26-50(46)54-51(47)35-43)49-34-41-22-11-10-21-40(41)33-48(49)38-19-8-3-9-20-38/h1-2,4-7,10-18,21-35,38H,3,8-9,19-20H2.
What are the key properties of N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine?
N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 695.91 g/mol, XLogP of 15.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylnaphthalen-2-yl)-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 168771717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).