N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline

C64H49NO — CID 170295954

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H49NO/c1-4-18-45(19-5-1)52-40-36-49(42-59(52)47-22-8-3-9-23-47)44-34-38-51(39-35-44)65(60-31-13-10-26-53(60)50-37-41-57-56-28-12-15-33-62(56)66-63(57)43-50)61-32-14-11-27-55(61)58-30-17-25-48-24-16-29-54(64(48)58)46-20-6-2-7-21-46/h1,3-5,8-19,22-43,46H,2,6-7,20-21H2
InChIKeyCJOQLEOBRQSGSZ-UHFFFAOYSA-N
MW848.10 g/mol
LogP18.59
Rot. Bonds9

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline (PubChem CID 170295954) has the molecular formula C64H49NO and a molecular weight of 848.10 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
PubChem CID170295954
Molecular FormulaC64H49NO
Molecular Weight848.10 g/mol
Exact Mass847.38
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C64H49NO/c1-4-18-45(19-5-1)52-40-36-49(42-59(52)47-22-8-3-9-23-47)44-34-38-51(39-35-44)65(60-31-13-10-26-53(60)50-37-41-57-56-28-12-15-33-62(56)66-63(57)43-50)61-32-14-11-27-55(61)58-30-17-25-48-24-16-29-54(64(48)58)46-20-6-2-7-21-46/h1,3-5,8-19,22-43,46H,2,6-7,20-21H2
InChIKeyCJOQLEOBRQSGSZ-UHFFFAOYSA-N
XLogP18.59
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.10
LogP ≤ 518.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-3-ylphenyl)-2,4-diphenylaniline
CID 170296019
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(3,4-diphenylphenyl)phenyl]dibenzofuran-2-amine
CID 170295934
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]-2-dibenzofuran-2-yl-N-(4-phenanthren-1-ylphenyl)aniline
CID 170300881
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(3,4-diphenylphenyl)phenyl]-N-phenylaniline
CID 170289431
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-2-ylphenyl)-5-naphthalen-1-yl-2-phenylaniline
CID 170296362
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-(2-phenanthren-1-ylphenyl)aniline
CID 170300987
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 170302749
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)aniline
CID 170300560
4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 170295425
2-(8-cyclohexylnaphthalen-1-yl)-N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)aniline
CID 170300542
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(2-dibenzofuran-2-ylphenyl)naphthalen-2-amine
CID 170300874

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline (CID 170295954) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4ccc5c(c4)oc4ccccc45)c4ccccc4-c4cccc5cccc(C6CCCCC6)c45)cc3)cc2-c2ccccc2)cc1.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline?
The InChIKey is CJOQLEOBRQSGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H49NO/c1-4-18-45(19-5-1)52-40-36-49(42-59(52)47-22-8-3-9-23-47)44-34-38-51(39-35-44)65(60-31-13-10-26-53(60)50-37-41-57-56-28-12-15-33-62(56)66-63(57)43-50)61-32-14-11-27-55(61)58-30-17-25-48-24-16-29-54(64(48)58)46-20-6-2-7-21-46/h1,3-5,8-19,22-43,46H,2,6-7,20-21H2.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline has a molecular weight of 848.10 g/mol, XLogP of 18.59, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[4-(3,4-diphenylphenyl)phenyl]aniline is sourced from PubChem (CID 170295954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).