2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole

C54H35NS — CID 122492279

IUPAC2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)c2)cc1
InChIInChI=1S/C54H35NS/c1-3-14-36(15-4-1)38-18-11-19-39(30-38)42-31-43(33-44(32-42)46-24-13-25-50-49-23-8-10-27-53(49)56-54(46)50)41-28-29-48-47-22-7-9-26-51(47)55(52(48)35-41)45-21-12-20-40(34-45)37-16-5-2-6-17-37/h1-35H
InChIKeySIOZDBVEINNMHR-UHFFFAOYSA-N
MW729.95 g/mol
LogP15.49
Rot. Bonds6

About 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole

2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole (PubChem CID 122492279) has the molecular formula C54H35NS and a molecular weight of 729.95 g/mol. Its IUPAC name is 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
PubChem CID122492279
Molecular FormulaC54H35NS
Molecular Weight729.95 g/mol
Exact Mass729.25
IUPAC Name2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)c2)cc1
InChIInChI=1S/C54H35NS/c1-3-14-36(15-4-1)38-18-11-19-39(30-38)42-31-43(33-44(32-42)46-24-13-25-50-49-23-8-10-27-53(49)56-54(46)50)41-28-29-48-47-22-7-9-26-51(47)55(52(48)35-41)45-21-12-20-40(34-45)37-16-5-2-6-17-37/h1-35H
InChIKeySIOZDBVEINNMHR-UHFFFAOYSA-N
XLogP15.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.95
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 122492281
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
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
3-dibenzothiophen-4-yl-6-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159869296
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
3-dibenzothiophen-4-yl-9-(3,5-diphenylphenyl)carbazole
CID 118228376
9-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-diphenylcarbazole
CID 146179615
9-phenyl-3-[3-(8-phenyldibenzothiophen-4-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492215
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 158760951

Frequently Asked Questions

What is the IUPAC name of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole (CID 122492279) is 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole is c1ccc(-c2cccc(-c3cc(-c4ccc5c6ccccc6n(-c6cccc(-c7ccccc7)c6)c5c4)cc(-c4cccc5c4sc4ccccc45)c3)c2)cc1.
What is the InChIKey of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
The InChIKey is SIOZDBVEINNMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NS/c1-3-14-36(15-4-1)38-18-11-19-39(30-38)42-31-43(33-44(32-42)46-24-13-25-50-49-23-8-10-27-53(49)56-54(46)50)41-28-29-48-47-22-7-9-26-51(47)55(52(48)35-41)45-21-12-20-40(34-45)37-16-5-2-6-17-37/h1-35H.
What are the key properties of 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole?
2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole has a molecular weight of 729.95 g/mol, XLogP of 15.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-dibenzothiophen-4-yl-5-(3-phenylphenyl)phenyl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 122492279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).