3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine

C54H36N2S — CID 164997385

IUPAC3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(cc3-c3cccc5sc6ccccc6c35)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-37(16-5-1)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)38-17-6-2-7-18-38)50-36-51-47(44-21-10-12-24-49(44)56(51)41-19-8-3-9-20-41)35-48(50)45-23-14-26-53-54(45)46-22-11-13-25-52(46)57-53/h1-36H
InChIKeyQPEWMHMDXCTVRN-UHFFFAOYSA-N
MW744.96 g/mol
LogP15.62
Rot. Bonds7

About 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine

3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine (PubChem CID 164997385) has the molecular formula C54H36N2S and a molecular weight of 744.96 g/mol. Its IUPAC name is 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
PubChem CID164997385
Molecular FormulaC54H36N2S
Molecular Weight744.96 g/mol
Exact Mass744.26
IUPAC Name3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(cc3-c3cccc5sc6ccccc6c35)c3ccccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H36N2S/c1-4-15-37(16-5-1)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)38-17-6-2-7-18-38)50-36-51-47(44-21-10-12-24-49(44)56(51)41-19-8-3-9-20-41)35-48(50)45-23-14-26-53-54(45)46-22-11-13-25-52(46)57-53/h1-36H
InChIKeyQPEWMHMDXCTVRN-UHFFFAOYSA-N
XLogP15.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.96
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N-dibenzothiophen-1-yl-N,2,9-triphenylcarbazol-3-amine
CID 155051682
N-dibenzothiophen-3-yl-N,3,9-triphenylcarbazol-2-amine
CID 165155434
3-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164993215
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502324
N-(4-dibenzothiophen-1-ylphenyl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168788998
N-(3-carbazol-9-ylphenyl)-2-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325535
N-(3-carbazol-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-1-amine
CID 164822826
3-N-dibenzothiophen-3-yl-1-N-phenyl-3-N-[3-(9-phenylcarbazol-2-yl)phenyl]-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 158726355
N-dibenzothiophen-1-yl-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-2-amine
CID 163581433
N-[4-(2,9-diphenylcarbazol-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 155051715
3-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine;3-dibenzofuran-2-yl-9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164993214

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine (CID 164997385) is 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc4c(cc3-c3cccc5sc6ccccc6c35)c3ccccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The InChIKey is QPEWMHMDXCTVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N2S/c1-4-15-37(16-5-1)39-27-31-42(32-28-39)55(43-33-29-40(30-34-43)38-17-6-2-7-18-38)50-36-51-47(44-21-10-12-24-49(44)56(51)41-19-8-3-9-20-41)35-48(50)45-23-14-26-53-54(45)46-22-11-13-25-52(46)57-53/h1-36H.
What are the key properties of 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine?
3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine has a molecular weight of 744.96 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 164997385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).