N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine

C64H43N3O — CID 171057527

IUPACN-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C64H43N3O/c1-4-16-44(17-5-1)45-28-32-49(33-29-45)65(51-37-41-64-59(42-51)58-25-13-15-27-63(58)68-64)50-34-30-46(31-35-50)53-39-40-61(55-23-11-10-22-54(53)55)66(47-18-6-2-7-19-47)52-36-38-57-56-24-12-14-26-60(56)67(62(57)43-52)48-20-8-3-9-21-48/h1-43H
InChIKeyFSOWZEYFNIZOLV-UHFFFAOYSA-N
MW870.07 g/mol
LogP18.11
Rot. Bonds9

About N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine

N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine (PubChem CID 171057527) has the molecular formula C64H43N3O and a molecular weight of 870.07 g/mol. Its IUPAC name is N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
PubChem CID171057527
Molecular FormulaC64H43N3O
Molecular Weight870.07 g/mol
Exact Mass869.34
IUPAC NameN-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C64H43N3O/c1-4-16-44(17-5-1)45-28-32-49(33-29-45)65(51-37-41-64-59(42-51)58-25-13-15-27-63(58)68-64)50-34-30-46(31-35-50)53-39-40-61(55-23-11-10-22-54(53)55)66(47-18-6-2-7-19-47)52-36-38-57-56-24-12-14-26-60(56)67(62(57)43-52)48-20-8-3-9-21-48/h1-43H
InChIKeyFSOWZEYFNIZOLV-UHFFFAOYSA-N
XLogP18.11
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.07
LogP ≤ 518.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)anilino)phenyl]-N,N-bis(4-dibenzofuran-2-ylphenyl)aniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-[4-(4-dibenzofuran-2-yl-N-(4-dibenzofuran-2-ylphenyl)anilino)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 157190055
N-[4-(3-carbazol-9-ylnaphthalen-1-yl)phenyl]-N-(4-phenylnaphthalen-1-yl)dibenzofuran-2-amine
CID 168809159
N-(4-carbazol-9-ylnaphthalen-1-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-2-amine
CID 71038542
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-N,N-diphenylaniline;4-N-(4-carbazol-9-ylphenyl)-4-N-(4-dibenzofuran-3-ylphenyl)-1-N,1-N-diphenylnaphthalene-1,4-diamine;N-(4-dibenzofuran-3-ylphenyl)-9-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]carbazol-3-amine
CID 159949302
1-N-phenyl-3-N-[7-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 149038189
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-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-2-amine
CID 118289224
4-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-N-(4-triphenylsilylphenyl)naphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine
CID 159169029
N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 118462582
5-dibenzofuran-2-yl-1-N,3-N-diphenyl-1-N,3-N-bis(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 122634225
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-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-2-amine
CID 168814780

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine (CID 171057527) is N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c5ccccc45)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is FSOWZEYFNIZOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43N3O/c1-4-16-44(17-5-1)45-28-32-49(33-29-45)65(51-37-41-64-59(42-51)58-25-13-15-27-63(58)68-64)50-34-30-46(31-35-50)53-39-40-61(55-23-11-10-22-54(53)55)66(47-18-6-2-7-19-47)52-36-38-57-56-24-12-14-26-60(56)67(62(57)43-52)48-20-8-3-9-21-48/h1-43H.
What are the key properties of N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 870.07 g/mol, XLogP of 18.11, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-dibenzofuran-2-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 171057527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).