N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

C54H32N2OS2 — CID 138577647

IUPACN,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc8c(c7)sc7ccccc78)c7ccc8c(c7)sc7ccccc78)c6c5c4)ccc32)cc1
InChIInChI=1S/C54H32N2OS2/c1-2-11-35(12-3-1)56-45-16-7-4-13-38(45)43-29-33(21-27-46(43)56)34-22-28-48-44(30-34)54-47(17-10-18-49(54)57-48)55(36-23-25-41-39-14-5-8-19-50(39)58-52(41)31-36)37-24-26-42-40-15-6-9-20-51(40)59-53(42)32-37/h1-32H
InChIKeyBAZHYZUOHVOILK-UHFFFAOYSA-N
MW789.00 g/mol
LogP16.56
Rot. Bonds5

About N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine

N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (PubChem CID 138577647) has the molecular formula C54H32N2OS2 and a molecular weight of 789.00 g/mol. Its IUPAC name is N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
PubChem CID138577647
Molecular FormulaC54H32N2OS2
Molecular Weight789.00 g/mol
Exact Mass788.20
IUPAC NameN,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc8c(c7)sc7ccccc78)c7ccc8c(c7)sc7ccccc78)c6c5c4)ccc32)cc1
InChIInChI=1S/C54H32N2OS2/c1-2-11-35(12-3-1)56-45-16-7-4-13-38(45)43-29-33(21-27-46(43)56)34-22-28-48-44(30-34)54-47(17-10-18-49(54)57-48)55(36-23-25-41-39-14-5-8-19-50(39)58-52(41)31-36)37-24-26-42-40-15-6-9-20-51(40)59-53(42)32-37/h1-32H
InChIKeyBAZHYZUOHVOILK-UHFFFAOYSA-N
XLogP16.56
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.00
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-carbazol-9-yl-N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-2-amine
CID 168803972
N-dibenzofuran-1-yl-N-(6-dibenzothiophen-3-ylnaphthalen-2-yl)-9-phenylcarbazol-2-amine
CID 168814654
N-phenyl-N-[8-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine
CID 129180955
N-dibenzofuran-1-yl-N-naphtho[2,1-b][1]benzothiol-2-yl-9-phenylcarbazol-3-amine
CID 170041496
3-N-dibenzofuran-4-yl-1-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[8-(9-phenylcarbazol-2-yl)dibenzofuran-2-yl]benzene-1,3-diamine
CID 149109551
N-dibenzothiophen-1-yl-N-[4-(9-phenylcarbazol-2-yl)phenyl]dibenzofuran-3-amine
CID 168814386
N-dibenzofuran-2-yl-N-naphtho[2,1-b][1]benzothiol-4-yl-9-phenylcarbazol-3-amine
CID 170042216
N-dibenzofuran-1-yl-N-dibenzofuran-4-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-1-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-dibenzothiophen-3-yl-9-phenylcarbazol-3-amine;N-dibenzofuran-1-yl-N-[4-(4-fluorophenyl)phenyl]-9-phenylcarbazol-3-amine
CID 162144524
N-dibenzothiophen-3-yl-9-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-4-amine
CID 177077852
N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzofuran-1-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-6-(9-phenylcarbazol-2-yl)dibenzofuran-1-amine;N,N-di(dibenzothiophen-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 160775883
N-phenyl-N-[2-(9-phenylcarbazol-3-yl)dibenzothiophen-4-yl]dibenzofuran-2-amine
CID 122462802
N-dibenzofuran-3-yl-N,9-diphenylcarbazol-1-amine;N-dibenzothiophen-3-yl-N,9-diphenylcarbazol-1-amine;N,N-diphenyl-9-(4-phenylphenyl)carbazol-1-amine;9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-1-amine;N,7,9-triphenyl-N-(9-phenylcarbazol-1-yl)carbazol-2-amine
CID 165092289

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The IUPAC name of N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine (CID 138577647) is N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine.
What is the SMILES notation for N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The canonical SMILES for N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6cccc(N(c7ccc8c(c7)sc7ccccc78)c7ccc8c(c7)sc7ccccc78)c6c5c4)ccc32)cc1.
What is the InChIKey of N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
The InChIKey is BAZHYZUOHVOILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS2/c1-2-11-35(12-3-1)56-45-16-7-4-13-38(45)43-29-33(21-27-46(43)56)34-22-28-48-44(30-34)54-47(17-10-18-49(54)57-48)55(36-23-25-41-39-14-5-8-19-50(39)58-52(41)31-36)37-24-26-42-40-15-6-9-20-51(40)59-53(42)32-37/h1-32H.
What are the key properties of N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine?
N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine has a molecular weight of 789.00 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzothiophen-3-yl)-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138577647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).