N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine

C57H47NO — CID 170447190

IUPACN-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccccc3)c3ccc5oc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C57H47NO/c1-55(2)33-34-56(3,4)54-44(27-18-29-49(54)55)46-36-45-42-25-14-16-28-48(42)57(38-19-8-5-9-20-38,39-21-10-6-11-22-39)50(45)37-51(46)58(40-23-12-7-13-24-40)41-31-32-53-47(35-41)43-26-15-17-30-52(43)59-53/h5-32,35-37H,33-34H2,1-4H3
InChIKeyIGWFZRNGLUQZEQ-UHFFFAOYSA-N
MW762.01 g/mol
LogP15.43
Rot. Bonds6

About N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine

N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine (PubChem CID 170447190) has the molecular formula C57H47NO and a molecular weight of 762.01 g/mol. Its IUPAC name is N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine.

Molecular Properties

Compound NameN-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine
PubChem CID170447190
Molecular FormulaC57H47NO
Molecular Weight762.01 g/mol
Exact Mass761.37
IUPAC NameN-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine
SMILESCC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccccc3)c3ccc5oc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21
InChIInChI=1S/C57H47NO/c1-55(2)33-34-56(3,4)54-44(27-18-29-49(54)55)46-36-45-42-25-14-16-28-48(42)57(38-19-8-5-9-20-38,39-21-10-6-11-22-39)50(45)37-51(46)58(40-23-12-7-13-24-40)41-31-32-53-47(35-41)43-26-15-17-30-52(43)59-53/h5-32,35-37H,33-34H2,1-4H3
InChIKeyIGWFZRNGLUQZEQ-UHFFFAOYSA-N
XLogP15.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.01
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine
CID 170448052
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170448043
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448170
N-[9,9-dimethyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyltriphenylen-2-amine
CID 170445292
9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]-N,3-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170448045
N-naphthalen-2-yl-N-phenyl-3'-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170447755
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-amine
CID 170448050
N,N-diphenyl-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448163
4-N-dibenzofuran-2-yl-4-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 138667387
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
3-N-dibenzofuran-1-yl-1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-(9,9-diphenylfluoren-3-yl)benzene-1,3-diamine
CID 147080029

Frequently Asked Questions

What is the IUPAC name of N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine?
The IUPAC name of N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine (CID 170447190) is N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine.
What is the SMILES notation for N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine?
The canonical SMILES for N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine is CC1(C)CCC(C)(C)c2c(-c3cc4c(cc3N(c3ccccc3)c3ccc5oc6ccccc6c5c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cccc21.
What is the InChIKey of N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine?
The InChIKey is IGWFZRNGLUQZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47NO/c1-55(2)33-34-56(3,4)54-44(27-18-29-49(54)55)46-36-45-42-25-14-16-28-48(42)57(38-19-8-5-9-20-38,39-21-10-6-11-22-39)50(45)37-51(46)58(40-23-12-7-13-24-40)41-31-32-53-47(35-41)43-26-15-17-30-52(43)59-53/h5-32,35-37H,33-34H2,1-4H3.
What are the key properties of N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine?
N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine has a molecular weight of 762.01 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]-N-phenyldibenzofuran-2-amine is sourced from PubChem (CID 170447190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).