N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C60H38N2O2 — CID 170369228

IUPACN-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)oc6ccccc67)c6c(cc54)oc4ccccc46)cc3)cc2)cc1
InChIInChI=1S/C60H38N2O2/c1-3-13-39(14-4-1)41-23-28-44(29-24-41)61(45-30-25-42(26-31-45)40-15-5-2-6-16-40)46-32-34-47(35-33-46)62-52-20-10-7-18-50(52)59-53(62)38-57-60(51-19-9-12-22-55(51)64-57)58(59)43-27-36-49-48-17-8-11-21-54(48)63-56(49)37-43/h1-38H
InChIKeyFFCPYKNMRBMRPY-UHFFFAOYSA-N
MW818.98 g/mol
LogP17.05
Rot. Bonds7

About N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 170369228) has the molecular formula C60H38N2O2 and a molecular weight of 818.98 g/mol. Its IUPAC name is N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID170369228
Molecular FormulaC60H38N2O2
Molecular Weight818.98 g/mol
Exact Mass818.29
IUPAC NameN-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)oc6ccccc67)c6c(cc54)oc4ccccc46)cc3)cc2)cc1
InChIInChI=1S/C60H38N2O2/c1-3-13-39(14-4-1)41-23-28-44(29-24-41)61(45-30-25-42(26-31-45)40-15-5-2-6-16-40)46-32-34-47(35-33-46)62-52-20-10-7-18-50(52)59-53(62)38-57-60(51-19-9-12-22-55(51)64-57)58(59)43-27-36-49-48-17-8-11-21-54(48)63-56(49)37-43/h1-38H
InChIKeyFFCPYKNMRBMRPY-UHFFFAOYSA-N
XLogP17.05
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.98
LogP ≤ 517.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-phenylaniline
CID 147432395
N-(4-carbazol-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 131972152
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
4-N-(4-carbazol-9-ylphenyl)-1-N-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-[4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]phenyl]-4-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine;methane
CID 158188840
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 170369238
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958
N-[4-(11,12-diphenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzofuran-3-amine
CID 170370037
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 170369228) is N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c(-c6ccc7c(c6)oc6ccccc67)c6c(cc54)oc4ccccc46)cc3)cc2)cc1.
What is the InChIKey of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is FFCPYKNMRBMRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O2/c1-3-13-39(14-4-1)41-23-28-44(29-24-41)61(45-30-25-42(26-31-45)40-15-5-2-6-16-40)46-32-34-47(35-33-46)62-52-20-10-7-18-50(52)59-53(62)38-57-60(51-19-9-12-22-55(51)64-57)58(59)43-27-36-49-48-17-8-11-21-54(48)63-56(49)37-43/h1-38H.
What are the key properties of N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 818.98 g/mol, XLogP of 17.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-dibenzofuran-3-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170369228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).