N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine

C51H35NO2 — CID 170139193

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C51H35NO2/c1-51(2)42-23-8-3-19-40(42)49-37(20-14-24-43(49)51)33-15-4-9-25-44(33)52(32-29-30-48-41(31-32)36-18-7-11-27-46(36)53-48)45-26-10-5-16-34(45)38-21-13-22-39-35-17-6-12-28-47(35)54-50(38)39/h3-31H,1-2H3
InChIKeyCZGUPBNJVOKVIJ-UHFFFAOYSA-N
MW693.85 g/mol
LogP14.60
Rot. Bonds5

About N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine

N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine (PubChem CID 170139193) has the molecular formula C51H35NO2 and a molecular weight of 693.85 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
PubChem CID170139193
Molecular FormulaC51H35NO2
Molecular Weight693.85 g/mol
Exact Mass693.27
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C51H35NO2/c1-51(2)42-23-8-3-19-40(42)49-37(20-14-24-43(49)51)33-15-4-9-25-44(33)52(32-29-30-48-41(31-32)36-18-7-11-27-46(36)53-48)45-26-10-5-16-34(45)38-21-13-22-39-35-17-6-12-28-47(35)54-50(38)39/h3-31H,1-2H3
InChIKeyCZGUPBNJVOKVIJ-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.85
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(3,4-diphenylphenyl)dibenzofuran-2-amine
CID 170192619
N-(9,9-dimethylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119768
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139869
N-(9,9-dimethylfluoren-4-yl)-N-phenyldibenzofuran-2-amine
CID 164829370
N-(2-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 135129602
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 170137784
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170035232
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631
N-(3-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143107
2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143174

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine (CID 170139193) is N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3ccc4oc5ccccc5c4c3)c3ccccc3-c3cccc4c3oc3ccccc34)cccc21.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine?
The InChIKey is CZGUPBNJVOKVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35NO2/c1-51(2)42-23-8-3-19-40(42)49-37(20-14-24-43(49)51)33-15-4-9-25-44(33)52(32-29-30-48-41(31-32)36-18-7-11-27-46(36)53-48)45-26-10-5-16-34(45)38-21-13-22-39-35-17-6-12-28-47(35)54-50(38)39/h3-31H,1-2H3.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine has a molecular weight of 693.85 g/mol, XLogP of 14.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 170139193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).