N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine

C54H36N2O — CID 169010129

IUPACN-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5c(-c6ccccc6-c6ccccc6)cccc5n(-c5ccccc5)c4c3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-16-37(17-5-1)38-30-32-41(33-31-38)55(49-27-15-29-52-54(49)47-24-12-13-28-51(47)57-52)42-34-35-46-50(36-42)56(40-20-8-3-9-21-40)48-26-14-25-45(53(46)48)44-23-11-10-22-43(44)39-18-6-2-7-19-39/h1-36H
InChIKeyHCAJSUKXIJWHSS-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine

N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 169010129) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID169010129
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c5c(-c6ccccc6-c6ccccc6)cccc5n(-c5ccccc5)c4c3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-4-16-37(17-5-1)38-30-32-41(33-31-38)55(49-27-15-29-52-54(49)47-24-12-13-28-51(47)57-52)42-34-35-46-50(36-42)56(40-20-8-3-9-21-40)48-26-14-25-45(53(46)48)44-23-11-10-22-43(44)39-18-6-2-7-19-39/h1-36H
InChIKeyHCAJSUKXIJWHSS-UHFFFAOYSA-N
XLogP15.15
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-1-yl-5,9-diphenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 169009626
N-dibenzofuran-1-yl-9-phenyl-N,5-bis(3-phenylphenyl)carbazol-2-amine
CID 169010211
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172500744
N-(4-dibenzofuran-1-ylphenyl)-N,5,9-triphenylcarbazol-2-amine
CID 169010360
5-(9-phenylcarbazol-4-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 176765221
N-dibenzofuran-1-yl-N,5,9-triphenylcarbazol-3-amine
CID 169009623
3-dibenzofuran-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665542
N-dibenzofuran-4-yl-5-naphthalen-1-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009921
N-dibenzofuran-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-1-amine
CID 163557742
9-phenyl-N-(5-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-N-(4-phenylphenyl)carbazol-2-amine
CID 176795732
5-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176795776
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169009927

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine (CID 169010129) is N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc4c5c(-c6ccccc6-c6ccccc6)cccc5n(-c5ccccc5)c4c3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is HCAJSUKXIJWHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-4-16-37(17-5-1)38-30-32-41(33-31-38)55(49-27-15-29-52-54(49)47-24-12-13-28-51(47)57-52)42-34-35-46-50(36-42)56(40-20-8-3-9-21-40)48-26-14-25-45(53(46)48)44-23-11-10-22-43(44)39-18-6-2-7-19-39/h1-36H.
What are the key properties of N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine?
N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 728.90 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 169010129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).