3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole

C42H27NS — CID 118228376

IUPAC3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C42H27NS/c1-3-12-28(13-4-1)31-24-32(29-14-5-2-6-15-29)26-33(25-31)43-39-20-9-7-16-35(39)38-27-30(22-23-40(38)43)34-18-11-19-37-36-17-8-10-21-41(36)44-42(34)37/h1-27H
InChIKeyBFFJTVVCPFRIBE-UHFFFAOYSA-N
MW577.75 g/mol
LogP12.15
Rot. Bonds4

About 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole

3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole (PubChem CID 118228376) has the molecular formula C42H27NS and a molecular weight of 577.75 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole.

Molecular Properties

Compound Name3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
PubChem CID118228376
Molecular FormulaC42H27NS
Molecular Weight577.75 g/mol
Exact Mass577.19
IUPAC Name3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2)cc1
InChIInChI=1S/C42H27NS/c1-3-12-28(13-4-1)31-24-32(29-14-5-2-6-15-29)26-33(25-31)43-39-20-9-7-16-35(39)38-27-30(22-23-40(38)43)34-18-11-19-37-36-17-8-10-21-41(36)44-42(34)37/h1-27H
InChIKeyBFFJTVVCPFRIBE-UHFFFAOYSA-N
XLogP12.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-dibenzothiophen-4-yl-9-[3-(3-dibenzothiophen-4-ylcarbazol-9-yl)-5-phenylphenyl]carbazole
CID 71005186
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]carbazole;9-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]carbazole;9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole;9-[3-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158652173
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
CID 122492279
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole?
The IUPAC name of 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole (CID 118228376) is 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole.
What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole?
The canonical SMILES for 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2)cc1.
What is the InChIKey of 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole?
The InChIKey is BFFJTVVCPFRIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NS/c1-3-12-28(13-4-1)31-24-32(29-14-5-2-6-15-29)26-33(25-31)43-39-20-9-7-16-35(39)38-27-30(22-23-40(38)43)34-18-11-19-37-36-17-8-10-21-41(36)44-42(34)37/h1-27H.
What are the key properties of 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole?
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole has a molecular weight of 577.75 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole is sourced from PubChem (CID 118228376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).