N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline

C66H40N2O2S — CID 88567766

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3c4oc5c(-c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc(-c8cccc9c8sc8ccccc89)cc7)cc6)cccc5c4ccc32)cc1
InChIInChI=1S/C66H40N2O2S/c1-2-13-44(14-3-1)68-58-24-7-4-17-57(58)62-59(68)40-39-55-54-22-11-19-49(64(54)70-65(55)62)42-29-35-46(36-30-42)67(45-33-27-41(28-34-45)48-18-10-21-53-51-15-5-8-25-60(51)69-63(48)53)47-37-31-43(32-38-47)50-20-12-23-56-52-16-6-9-26-61(52)71-66(50)56/h1-40H
InChIKeyFKLZYBIVQANJDV-UHFFFAOYSA-N
MW925.12 g/mol
LogP19.42
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline (PubChem CID 88567766) has the molecular formula C66H40N2O2S and a molecular weight of 925.12 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline
PubChem CID88567766
Molecular FormulaC66H40N2O2S
Molecular Weight925.12 g/mol
Exact Mass924.28
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline
SMILESc1ccc(-n2c3ccccc3c3c4oc5c(-c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc(-c8cccc9c8sc8ccccc89)cc7)cc6)cccc5c4ccc32)cc1
InChIInChI=1S/C66H40N2O2S/c1-2-13-44(14-3-1)68-58-24-7-4-17-57(58)62-59(68)40-39-55-54-22-11-19-49(64(54)70-65(55)62)42-29-35-46(36-30-42)67(45-33-27-41(28-34-45)48-18-10-21-53-51-15-5-8-25-60(51)69-63(48)53)47-37-31-43(32-38-47)50-20-12-23-56-52-16-6-9-26-61(52)71-66(50)56/h1-40H
InChIKeyFKLZYBIVQANJDV-UHFFFAOYSA-N
XLogP19.42
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.12
LogP ≤ 519.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline (CID 88567766) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline is c1ccc(-n2c3ccccc3c3c4oc5c(-c6ccc(N(c7ccc(-c8cccc9c8oc8ccccc89)cc7)c7ccc(-c8cccc9c8sc8ccccc89)cc7)cc6)cccc5c4ccc32)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline?
The InChIKey is FKLZYBIVQANJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H40N2O2S/c1-2-13-44(14-3-1)68-58-24-7-4-17-57(58)62-59(68)40-39-55-54-22-11-19-49(64(54)70-65(55)62)42-29-35-46(36-30-42)67(45-33-27-41(28-34-45)48-18-10-21-53-51-15-5-8-25-60(51)69-63(48)53)47-37-31-43(32-38-47)50-20-12-23-56-52-16-6-9-26-61(52)71-66(50)56/h1-40H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline has a molecular weight of 925.12 g/mol, XLogP of 19.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-11-yl)aniline is sourced from PubChem (CID 88567766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).