N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

C53H43NO — CID 168802106

IUPACN-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4ccccc4c3-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C53H43NO/c1-52(2,3)37-26-21-34(22-27-37)35-23-28-38(29-24-35)54(39-30-31-46-44(33-39)41-15-8-10-18-45(41)53(46,4)5)47-32-25-36-13-6-7-14-40(36)50(47)43-17-12-20-49-51(43)42-16-9-11-19-48(42)55-49/h6-33H,1-5H3
InChIKeyZNXQSJNDEBZWRR-UHFFFAOYSA-N
MW709.93 g/mol
LogP15.15
Rot. Bonds5

About N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 168802106) has the molecular formula C53H43NO and a molecular weight of 709.93 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
PubChem CID168802106
Molecular FormulaC53H43NO
Molecular Weight709.93 g/mol
Exact Mass709.33
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4ccccc4c3-c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C53H43NO/c1-52(2,3)37-26-21-34(22-27-37)35-23-28-38(29-24-35)54(39-30-31-46-44(33-39)41-15-8-10-18-45(41)53(46,4)5)47-32-25-36-13-6-7-14-40(36)50(47)43-17-12-20-49-51(43)42-16-9-11-19-48(42)55-49/h6-33H,1-5H3
InChIKeyZNXQSJNDEBZWRR-UHFFFAOYSA-N
XLogP15.15
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.93
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 168801937
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)spiro[benzo[b]fluorene-11,9'-fluorene]-3-amine
CID 168801779
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-[2-(9,9-dimethylfluoren-4-yl)phenyl]naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 168802263
N-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168802268
N-[4-(4-tert-butylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-11,11-dimethylbenzo[b]fluoren-3-amine
CID 168801947
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-[1-(9,9-dimethylfluoren-1-yl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802481
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-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802215
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-butylphenyl)-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168802092

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (CID 168802106) is N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is CC(C)(C)c1ccc(-c2ccc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4ccccc4c3-c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is ZNXQSJNDEBZWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43NO/c1-52(2,3)37-26-21-34(22-27-37)35-23-28-38(29-24-35)54(39-30-31-46-44(33-39)41-15-8-10-18-45(41)53(46,4)5)47-32-25-36-13-6-7-14-40(36)50(47)43-17-12-20-49-51(43)42-16-9-11-19-48(42)55-49/h6-33H,1-5H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
N-[4-(4-tert-butylphenyl)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine has a molecular weight of 709.93 g/mol, XLogP of 15.15, 5 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)phenyl]-N-(1-dibenzofuran-1-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 168802106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).