N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine

C59H41NO — CID 177281250

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3-c3ccc4ccc5ccccc5c4c3)cc21
InChIInChI=1S/C59H41NO/c1-59(2)52-23-13-11-21-48(52)49-30-29-45(37-53(49)59)60(46-34-43(38-15-5-3-6-16-38)33-44(35-46)39-17-7-4-8-18-39)54-31-32-56-58(50-22-12-14-24-55(50)61-56)57(54)42-28-27-41-26-25-40-19-9-10-20-47(40)51(41)36-42/h3-37H,1-2H3
InChIKeyOKOAQNJNGYVBKZ-UHFFFAOYSA-N
MW779.98 g/mol
LogP16.67
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine (PubChem CID 177281250) has the molecular formula C59H41NO and a molecular weight of 779.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
PubChem CID177281250
Molecular FormulaC59H41NO
Molecular Weight779.98 g/mol
Exact Mass779.32
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3-c3ccc4ccc5ccccc5c4c3)cc21
InChIInChI=1S/C59H41NO/c1-59(2)52-23-13-11-21-48(52)49-30-29-45(37-53(49)59)60(46-34-43(38-15-5-3-6-16-38)33-44(35-46)39-17-7-4-8-18-39)54-31-32-56-58(50-22-12-14-24-55(50)61-56)57(54)42-28-27-41-26-25-40-19-9-10-20-47(40)51(41)36-42/h3-37H,1-2H3
InChIKeyOKOAQNJNGYVBKZ-UHFFFAOYSA-N
XLogP16.67
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.98
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-1-phenanthren-3-yldibenzofuran-2-amine
CID 177281265
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-triphenylen-2-yldibenzofuran-2-amine
CID 177281181
N-(9,9-dimethylfluoren-2-yl)-N-(3-naphthalen-1-ylphenyl)-1-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280769
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 177280924
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177280731
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 177280624
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177281165
N-(9,9-dimethylfluoren-2-yl)-1-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)dibenzofuran-2-amine
CID 177280648
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-2-yldibenzofuran-2-amine
CID 177281538
N,N-bis(9,9-dimethylfluoren-2-yl)-1-(2,4-diphenylphenyl)dibenzofuran-2-amine
CID 177281391
N-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-1-naphthalen-1-yldibenzofuran-2-amine
CID 177280868
N-(9,9-dimethylfluoren-2-yl)-N-(1-phenanthren-2-yldibenzofuran-2-yl)-9-phenylcarbazol-3-amine
CID 177281213

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine (CID 177281250) is N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccc4oc5ccccc5c4c3-c3ccc4ccc5ccccc5c4c3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine?
The InChIKey is OKOAQNJNGYVBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41NO/c1-59(2)52-23-13-11-21-48(52)49-30-29-45(37-53(49)59)60(46-34-43(38-15-5-3-6-16-38)33-44(35-46)39-17-7-4-8-18-39)54-31-32-56-58(50-22-12-14-24-55(50)61-56)57(54)42-28-27-41-26-25-40-19-9-10-20-47(40)51(41)36-42/h3-37H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine has a molecular weight of 779.98 g/mol, XLogP of 16.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(3,5-diphenylphenyl)-1-phenanthren-3-yldibenzofuran-2-amine is sourced from PubChem (CID 177281250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).