N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine

C65H51NO — CID 168802158

IUPACN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4ccccc4c3-c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C65H51NO/c1-64(2,3)46-34-30-42(31-35-46)45-33-38-58(55(40-45)43-18-7-6-8-19-43)66(47-36-37-51-50-23-13-15-27-56(50)65(4,5)57(51)41-47)59-39-32-44-20-9-10-21-48(44)62(59)52-24-12-11-22-49(52)53-26-17-29-61-63(53)54-25-14-16-28-60(54)67-61/h6-41H,1-5H3
InChIKeySSKJSSKQJUQDFE-UHFFFAOYSA-N
MW862.13 g/mol
LogP18.48
Rot. Bonds7

About N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine

N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine (PubChem CID 168802158) has the molecular formula C65H51NO and a molecular weight of 862.13 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
PubChem CID168802158
Molecular FormulaC65H51NO
Molecular Weight862.13 g/mol
Exact Mass861.40
IUPAC NameN-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4ccccc4c3-c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C65H51NO/c1-64(2,3)46-34-30-42(31-35-46)45-33-38-58(55(40-45)43-18-7-6-8-19-43)66(47-36-37-51-50-23-13-15-27-56(50)65(4,5)57(51)41-47)59-39-32-44-20-9-10-21-48(44)62(59)52-24-12-11-22-49(52)53-26-17-29-61-63(53)54-25-14-16-28-60(54)67-61/h6-41H,1-5H3
InChIKeySSKJSSKQJUQDFE-UHFFFAOYSA-N
XLogP18.48
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.13
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-tert-butylphenyl)phenyl]-2-phenylphenyl]-9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]fluoren-3-amine
CID 168802051
N-(4-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine
CID 168802493
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802106
N-[4-(4-tert-butylphenyl)-2,6-diphenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802034
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802215
9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 164774109
N-[4-(7-tert-butyl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 168840146
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168801942
N-(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281306
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324779
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168801937

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine (CID 168802158) is N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4ccccc4c3-c3ccccc3-c3cccc4oc5ccccc5c34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
The InChIKey is SSKJSSKQJUQDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H51NO/c1-64(2,3)46-34-30-42(31-35-46)45-33-38-58(55(40-45)43-18-7-6-8-19-43)66(47-36-37-51-50-23-13-15-27-56(50)65(4,5)57(51)41-47)59-39-32-44-20-9-10-21-48(44)62(59)52-24-12-11-22-49(52)53-26-17-29-61-63(53)54-25-14-16-28-60(54)67-61/h6-41H,1-5H3.
What are the key properties of N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine?
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine has a molecular weight of 862.13 g/mol, XLogP of 18.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 168802158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).