N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine

C60H47NO — CID 170302749

IUPACN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C60H47NO/c1-60(44-21-6-3-7-22-44)52-28-11-8-25-51(52)59-53(60)29-16-31-55(59)61(45-36-33-40(34-37-45)43-35-38-49-48-24-10-13-32-56(48)62-57(49)39-43)54-30-12-9-23-47(54)50-27-15-20-42-19-14-26-46(58(42)50)41-17-4-2-5-18-41/h3,6-16,19-39,41H,2,4-5,17-18H2,1H3
InChIKeyRQTCJFCJKXMGSD-UHFFFAOYSA-N
MW798.04 g/mol
LogP16.93
Rot. Bonds7

About N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine

N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine (PubChem CID 170302749) has the molecular formula C60H47NO and a molecular weight of 798.04 g/mol. Its IUPAC name is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine.

Molecular Properties

Compound NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
PubChem CID170302749
Molecular FormulaC60H47NO
Molecular Weight798.04 g/mol
Exact Mass797.37
IUPAC NameN-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21
InChIInChI=1S/C60H47NO/c1-60(44-21-6-3-7-22-44)52-28-11-8-25-51(52)59-53(60)29-16-31-55(59)61(45-36-33-40(34-37-45)43-35-38-49-48-24-10-13-32-56(48)62-57(49)39-43)54-30-12-9-23-47(54)50-27-15-20-42-19-14-26-46(58(42)50)41-17-4-2-5-18-41/h3,6-16,19-39,41H,2,4-5,17-18H2,1H3
InChIKeyRQTCJFCJKXMGSD-UHFFFAOYSA-N
XLogP16.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.04
LogP ≤ 516.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]aniline
CID 170302877
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-4-yl)phenyl]dibenzofuran-1-amine
CID 170302843
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-phenylphenyl)aniline
CID 170292666
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-methyl-9-phenylfluoren-4-amine
CID 170303842
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]-9-methyl-9-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-4-amine
CID 170304414
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-3-amine
CID 170302816
2-(8-cyclohexylnaphthalen-1-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170293079
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302878
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-dibenzofuran-3-yl-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170302741
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-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
CID 170302819

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The IUPAC name of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine (CID 170302749) is N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine.
What is the SMILES notation for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The canonical SMILES for N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3cccc4cccc(C5CCCCC5)c34)cccc21.
What is the InChIKey of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
The InChIKey is RQTCJFCJKXMGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H47NO/c1-60(44-21-6-3-7-22-44)52-28-11-8-25-51(52)59-53(60)29-16-31-55(59)61(45-36-33-40(34-37-45)43-35-38-49-48-24-10-13-32-56(48)62-57(49)39-43)54-30-12-9-23-47(54)50-27-15-20-42-19-14-26-46(58(42)50)41-17-4-2-5-18-41/h3,6-16,19-39,41H,2,4-5,17-18H2,1H3.
What are the key properties of N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine?
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine has a molecular weight of 798.04 g/mol, XLogP of 16.93, 7 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]-N-(4-dibenzofuran-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine is sourced from PubChem (CID 170302749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).