N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline

C48H32N2O — CID 90125795

IUPACN,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-14-35(15-5-1)49(36-16-6-2-7-17-36)38-29-26-33(27-30-38)39-21-12-23-42-43-24-13-22-40(48(43)51-47(39)42)34-28-31-46-44(32-34)41-20-10-11-25-45(41)50(46)37-18-8-3-9-19-37/h1-32H
InChIKeyKRWKCRYWHAFDBF-UHFFFAOYSA-N
MW652.80 g/mol
LogP13.49
Rot. Bonds6

About N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline

N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline (PubChem CID 90125795) has the molecular formula C48H32N2O and a molecular weight of 652.80 g/mol. Its IUPAC name is N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
PubChem CID90125795
Molecular FormulaC48H32N2O
Molecular Weight652.80 g/mol
Exact Mass652.25
IUPAC NameN,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C48H32N2O/c1-4-14-35(15-5-1)49(36-16-6-2-7-17-36)38-29-26-33(27-30-38)39-21-12-23-42-43-24-13-22-40(48(43)51-47(39)42)34-28-31-46-44(32-34)41-20-10-11-25-45(41)50(46)37-18-8-3-9-19-37/h1-32H
InChIKeyKRWKCRYWHAFDBF-UHFFFAOYSA-N
XLogP13.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[6-(3-carbazol-9-ylphenyl)dibenzofuran-4-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90125897
4-[9-(4-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 164786369
1-N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-4-N,4-N-bis[4-(N-[4-[6-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]anilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 118402476
N-(3-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-phenyl-3-(9-phenylcarbazol-3-yl)aniline
CID 155318425
N-[4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-[N-(4-dibenzofuran-2-ylphenyl)-4-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]anilino]phenyl]anilino]phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159314688
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 58510827
9,9-dimethyl-7-[6-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118402458
N-[4-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 160835458
N-[4-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121443631
3-[3-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121443658
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline (CID 90125795) is N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3oc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline?
The InChIKey is KRWKCRYWHAFDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O/c1-4-14-35(15-5-1)49(36-16-6-2-7-17-36)38-29-26-33(27-30-38)39-21-12-23-42-43-24-13-22-40(48(43)51-47(39)42)34-28-31-46-44(32-34)41-20-10-11-25-45(41)50(46)37-18-8-3-9-19-37/h1-32H.
What are the key properties of N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline?
N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline has a molecular weight of 652.80 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[6-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]aniline is sourced from PubChem (CID 90125795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).