N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

C53H43NO — CID 168802215

IUPACN-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2cccc3c2oc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C53H43NO/c1-52(2,3)36-27-31-47(43(32-36)34-16-7-6-8-17-34)54(37-28-29-46-44(33-37)39-20-11-13-24-45(39)53(46,4)5)48-30-26-35-18-9-10-19-38(35)50(48)42-23-15-22-41-40-21-12-14-25-49(40)55-51(41)42/h6-33H,1-5H3
InChIKeyCDQWZFLGSIJIGN-UHFFFAOYSA-N
MW709.93 g/mol
LogP15.15
Rot. Bonds5

About N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine

N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (PubChem CID 168802215) has the molecular formula C53H43NO and a molecular weight of 709.93 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.

Molecular Properties

Compound NameN-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
PubChem CID168802215
Molecular FormulaC53H43NO
Molecular Weight709.93 g/mol
Exact Mass709.33
IUPAC NameN-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2cccc3c2oc2ccccc23)c(-c2ccccc2)c1
InChIInChI=1S/C53H43NO/c1-52(2,3)36-27-31-47(43(32-36)34-16-7-6-8-17-34)54(37-28-29-46-44(33-37)39-20-11-13-24-45(39)53(46,4)5)48-30-26-35-18-9-10-19-38(35)50(48)42-23-15-22-41-40-21-12-14-25-49(40)55-51(41)42/h6-33H,1-5H3
InChIKeyCDQWZFLGSIJIGN-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-tert-butyl-2-phenylphenyl)-N-[1-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]dibenzofuran-2-amine
CID 168802493
N-(4-tert-butylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-11,11-dimethylbenzo[b]fluoren-2-amine
CID 168802469
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-(4-tert-butylphenyl)-2-phenylphenyl]-N-[1-(3-dibenzofuran-4-ylphenyl)naphthalen-2-yl]-9,9-diphenylfluoren-3-amine
CID 168802401
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-phenylphenyl]-N-[1-(2-dibenzofuran-1-ylphenyl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 168802158
N-[4-[4-(4-tert-butylphenyl)phenyl]phenyl]-N-(1-dibenzofuran-2-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine
CID 168802375
9,9-dimethyl-N-[1-(2-phenylphenyl)naphthalen-2-yl]-N-(4-tritylphenyl)fluoren-3-amine
CID 168802247
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
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-[4-(4-tert-butylphenyl)-2-phenylphenyl]-N-(1-dibenzofuran-3-ylnaphthalen-2-yl)-9,9-diphenylfluoren-3-amine
CID 168801967
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-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine (CID 168802215) is N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine.
What is the SMILES notation for N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The canonical SMILES for N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is CC(C)(C)c1ccc(N(c2ccc3c(c2)-c2ccccc2C3(C)C)c2ccc3ccccc3c2-c2cccc3c2oc2ccccc23)c(-c2ccccc2)c1.
What is the InChIKey of N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
The InChIKey is CDQWZFLGSIJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43NO/c1-52(2,3)36-27-31-47(43(32-36)34-16-7-6-8-17-34)54(37-28-29-46-44(33-37)39-20-11-13-24-45(39)53(46,4)5)48-30-26-35-18-9-10-19-38(35)50(48)42-23-15-22-41-40-21-12-14-25-49(40)55-51(41)42/h6-33H,1-5H3.
What are the key properties of N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine?
N-(4-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-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-tert-butyl-2-phenylphenyl)-N-(1-dibenzofuran-4-ylnaphthalen-2-yl)-9,9-dimethylfluoren-3-amine is sourced from PubChem (CID 168802215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).