N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine

C54H36N2O — CID 164790790

IUPACN-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-14-37(15-4-1)44-18-7-8-19-45(44)38-26-30-41(31-27-38)55(43-34-35-53-50(36-43)48-21-10-12-25-52(48)57-53)42-32-28-39(29-33-42)46-22-13-23-49-47-20-9-11-24-51(47)56(54(46)49)40-16-5-2-6-17-40/h1-36H
InChIKeyBOJYPQOANTYCNY-UHFFFAOYSA-N
MW728.90 g/mol
LogP15.15
Rot. Bonds7

About N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine

N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 164790790) has the molecular formula C54H36N2O and a molecular weight of 728.90 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID164790790
Molecular FormulaC54H36N2O
Molecular Weight728.90 g/mol
Exact Mass728.28
IUPAC NameN-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H36N2O/c1-3-14-37(15-4-1)44-18-7-8-19-45(44)38-26-30-41(31-27-38)55(43-34-35-53-50(36-43)48-21-10-12-25-52(48)57-53)42-32-28-39(29-33-42)46-22-13-23-49-47-20-9-11-24-51(47)56(54(46)49)40-16-5-2-6-17-40/h1-36H
InChIKeyBOJYPQOANTYCNY-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-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503040
methane;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 165018255
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165081556
N-dibenzofuran-2-yl-9-phenyl-N,5-bis(4-phenylphenyl)carbazol-3-amine
CID 169010452
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164790797
N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 58510687
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-6,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-4-(4-phenylphenyl)aniline;9-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 158901637
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 165063563
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170298887
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576
N-[3-(3-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 121260620

Frequently Asked Questions

What is the IUPAC name of N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 164790790) is N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is BOJYPQOANTYCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2O/c1-3-14-37(15-4-1)44-18-7-8-19-45(44)38-26-30-41(31-27-38)55(43-34-35-53-50(36-43)48-21-10-12-25-52(48)57-53)42-32-28-39(29-33-42)46-22-13-23-49-47-20-9-11-24-51(47)56(54(46)49)40-16-5-2-6-17-40/h1-36H.
What are the key properties of N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-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-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 164790790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).