N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine

C57H39NO — CID 171453021

IUPACN-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C57H39NO/c1-56(38-17-5-2-6-18-38)50-26-14-11-23-44(50)46-32-29-42(36-52(46)56)58(41-31-34-55-49(35-41)48-25-13-16-28-54(48)59-55)43-30-33-47-45-24-12-15-27-51(45)57(53(47)37-43,39-19-7-3-8-20-39)40-21-9-4-10-22-40/h2-37H,1H3
InChIKeyOBSHSQYBARXSBX-UHFFFAOYSA-N
MW753.95 g/mol
LogP14.75
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine

N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine (PubChem CID 171453021) has the molecular formula C57H39NO and a molecular weight of 753.95 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
PubChem CID171453021
Molecular FormulaC57H39NO
Molecular Weight753.95 g/mol
Exact Mass753.30
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C57H39NO/c1-56(38-17-5-2-6-18-38)50-26-14-11-23-44(50)46-32-29-42(36-52(46)56)58(41-31-34-55-49(35-41)48-25-13-16-28-54(48)59-55)43-30-33-47-45-24-12-15-27-51(45)57(53(47)37-43,39-19-7-3-8-20-39)40-21-9-4-10-22-40/h2-37H,1H3
InChIKeyOBSHSQYBARXSBX-UHFFFAOYSA-N
XLogP14.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.95
LogP ≤ 514.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-3-amine
CID 171453577
N-(9,9-diphenylfluoren-3-yl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-2-amine
CID 121423669
N-(9,9-diphenylfluoren-2-yl)-N-phenanthren-3-yldibenzofuran-2-amine
CID 142589034
N-(4-dibenzofuran-2-ylphenyl)-N-(9-methyl-9-phenylfluoren-2-yl)triphenylen-2-amine
CID 118214579
N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N,9,9-triphenylfluoren-2-amine
CID 134452942
N-(9-methyl-9-phenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119205
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 67964095
N-(9,9-diphenylfluoren-4-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]dibenzofuran-2-amine
CID 171453603
N-(9,9-diphenylfluoren-2-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119009
N-(3-dibenzofuran-2-ylphenyl)-9-methyl-N-(9-methyl-9-phenylfluoren-3-yl)-9-phenylfluoren-2-amine
CID 171453554
N-(2-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine
CID 122675384

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine (CID 171453021) is N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine?
The InChIKey is OBSHSQYBARXSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NO/c1-56(38-17-5-2-6-18-38)50-26-14-11-23-44(50)46-32-29-42(36-52(46)56)58(41-31-34-55-49(35-41)48-25-13-16-28-54(48)59-55)43-30-33-47-45-24-12-15-27-51(45)57(53(47)37-43,39-19-7-3-8-20-39)40-21-9-4-10-22-40/h2-37H,1H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine?
N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine has a molecular weight of 753.95 g/mol, XLogP of 14.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-(9-methyl-9-phenylfluoren-2-yl)dibenzofuran-2-amine is sourced from PubChem (CID 171453021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).