4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine

C54H34N2OS — CID 176608553

IUPAC4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2OS/c1-2-13-37(14-3-1)55(38-29-25-35(26-30-38)40-19-12-20-45-44-17-6-10-23-50(44)57-53(40)45)49-34-33-41(54-52(49)46-18-7-11-24-51(46)58-54)36-27-31-39(32-28-36)56-47-21-8-4-15-42(47)43-16-5-9-22-48(43)56/h1-34H
InChIKeyFBSHWNRXIBDHJX-UHFFFAOYSA-N
MW758.95 g/mol
LogP15.85
Rot. Bonds6

About 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine

4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine (PubChem CID 176608553) has the molecular formula C54H34N2OS and a molecular weight of 758.95 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
PubChem CID176608553
Molecular FormulaC54H34N2OS
Molecular Weight758.95 g/mol
Exact Mass758.24
IUPAC Name4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)cc1
InChIInChI=1S/C54H34N2OS/c1-2-13-37(14-3-1)55(38-29-25-35(26-30-38)40-19-12-20-45-44-17-6-10-23-50(44)57-53(40)45)49-34-33-41(54-52(49)46-18-7-11-24-51(46)58-54)36-27-31-39(32-28-36)56-47-21-8-4-15-42(47)43-16-5-9-22-48(43)56/h1-34H
InChIKeyFBSHWNRXIBDHJX-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-bis(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 176824673
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline
CID 58510633
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-1-amine
CID 176608271
N,N-bis(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylaniline
CID 58510642
4-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-dibenzothiophen-1-yldibenzofuran-1-amine
CID 176608293
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine
CID 176609970
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 118428329
N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
4-(3-carbazol-9-ylphenyl)-N-dibenzothiophen-1-yl-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-1-amine
CID 176608909
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yldibenzothiophen-1-amine
CID 163563367
4-carbazol-9-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 58510780
4-(4-carbazol-9-ylphenyl)-N-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)dibenzofuran-1-amine
CID 176607995

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine (CID 176608553) is 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine is c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3sc4ccccc4c23)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
The InChIKey is FBSHWNRXIBDHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2OS/c1-2-13-37(14-3-1)55(38-29-25-35(26-30-38)40-19-12-20-45-44-17-6-10-23-50(44)57-53(40)45)49-34-33-41(54-52(49)46-18-7-11-24-51(46)58-54)36-27-31-39(32-28-36)56-47-21-8-4-15-42(47)43-16-5-9-22-48(43)56/h1-34H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine?
4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-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 4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine is sourced from PubChem (CID 176608553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).