N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C54H34N2OS — CID 156521438

IUPACN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-2-13-35(14-3-1)36-25-29-38(30-26-36)55(50-22-12-19-45-43-17-6-10-23-51(43)57-53(45)50)39-31-27-37(28-32-39)46-33-40(34-47-44-18-7-11-24-52(44)58-54(46)47)56-48-20-8-4-15-41(48)42-16-5-9-21-49(42)56/h1-34H
InChIKeyFFHIEALCOIKRPA-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 156521438) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID156521438
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC NameN-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2OS/c1-2-13-35(14-3-1)36-25-29-38(30-26-36)55(50-22-12-19-45-43-17-6-10-23-51(43)57-53(45)50)39-31-27-37(28-32-39)46-33-40(34-47-44-18-7-11-24-52(44)58-54(46)47)56-48-20-8-4-15-41(48)42-16-5-9-21-49(42)56/h1-34H
InChIKeyFFHIEALCOIKRPA-UHFFFAOYSA-N
XLogP15.85
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-benzo[b]carbazol-5-yldibenzothiophen-4-yl)phenyl]-N-naphthalen-2-yldibenzofuran-4-amine
CID 156521401
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-phenyldibenzofuran-1-amine
CID 156520876
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 166591724
N-dibenzofuran-4-yl-N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 168814483
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970
N-phenyl-N-[4-[2-(3-phenylcarbazol-9-yl)dibenzofuran-4-yl]phenyl]dibenzothiophen-1-amine
CID 156521073
4-(3-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 176608780
N-phenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]-7,8-dihydrodibenzofuran-1-amine
CID 156520991
N,4-diphenyl-N-[4-[2-(2-phenylcarbazol-9-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 156521456
N-dibenzothiophen-4-yl-N-[4-(9-phenylcarbazol-1-yl)phenyl]dibenzofuran-4-amine
CID 164790736
N-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 118405592
3-(9-dibenzofuran-1-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[9-(4-phenyldibenzothiophen-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 163611477

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 156521438) is N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)cc5c4sc4ccccc45)cc3)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is FFHIEALCOIKRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-13-35(14-3-1)36-25-29-38(30-26-36)55(50-22-12-19-45-43-17-6-10-23-51(43)57-53(45)50)39-31-27-37(28-32-39)46-33-40(34-47-44-18-7-11-24-52(44)58-54(46)47)56-48-20-8-4-15-41(48)42-16-5-9-21-49(42)56/h1-34H.
What are the key properties of N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 758.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-carbazol-9-yldibenzothiophen-4-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 156521438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).