N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine

C57H40N2O — CID 170139036

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21
InChIInChI=1S/C57H40N2O/c1-57(2)49-25-10-6-23-48(49)56-47(24-15-26-50(56)57)43-21-8-11-27-51(43)58(40-19-14-16-37(34-40)38-30-32-46-45-22-9-13-29-54(45)60-55(46)35-38)41-31-33-44-42-20-7-12-28-52(42)59(53(44)36-41)39-17-4-3-5-18-39/h3-36H,1-2H3
InChIKeyKPVNXFVOGQTQBS-UHFFFAOYSA-N
MW768.96 g/mol
LogP15.79
Rot. Bonds6

About N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine

N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine (PubChem CID 170139036) has the molecular formula C57H40N2O and a molecular weight of 768.96 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
PubChem CID170139036
Molecular FormulaC57H40N2O
Molecular Weight768.96 g/mol
Exact Mass768.31
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21
InChIInChI=1S/C57H40N2O/c1-57(2)49-25-10-6-23-48(49)56-47(24-15-26-50(56)57)43-21-8-11-27-51(43)58(40-19-14-16-37(34-40)38-30-32-46-45-22-9-13-29-54(45)60-55(46)35-38)41-31-33-44-42-20-7-12-28-52(42)59(53(44)36-41)39-17-4-3-5-18-39/h3-36H,1-2H3
InChIKeyKPVNXFVOGQTQBS-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-diphenyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-3-amine
CID 170138428
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170139028
N-(3-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568183
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
CID 171727025
N-(9,9-dimethylfluoren-3-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-7-[6-[3-[N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9-phenylcarbazol-3-amine
CID 170142819
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
2-(9,9-dimethylfluoren-4-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304270
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(3-dibenzofuran-3-ylphenyl)-2-phenylaniline
CID 153314795
N-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 153314589
N-(3-dibenzofuran-2-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-phenylaniline
CID 170139631

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine (CID 170139036) is N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine is CC1(C)c2ccccc2-c2c(-c3ccccc3N(c3cccc(-c4ccc5c(c4)oc4ccccc45)c3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cccc21.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine?
The InChIKey is KPVNXFVOGQTQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O/c1-57(2)49-25-10-6-23-48(49)56-47(24-15-26-50(56)57)43-21-8-11-27-51(43)58(40-19-14-16-37(34-40)38-30-32-46-45-22-9-13-29-54(45)60-55(46)35-38)41-31-33-44-42-20-7-12-28-52(42)59(53(44)36-41)39-17-4-3-5-18-39/h3-36H,1-2H3.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine?
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine has a molecular weight of 768.96 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine is sourced from PubChem (CID 170139036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).