9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole

C48H33NS — CID 67121569

IUPAC9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole
SMILESC1=CC2Sc3c(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)cccc3C2C=C1
InChIInChI=1S/C48H33NS/c1-2-13-32(14-3-1)33-15-10-16-34(27-33)36-28-37(30-38(29-36)40-22-12-23-44-43-21-6-9-26-47(43)50-48(40)44)35-17-11-18-39(31-35)49-45-24-7-4-19-41(45)42-20-5-8-25-46(42)49/h1-31,43,47H
InChIKeyOBTPRWLUNJSRDB-UHFFFAOYSA-N
MW655.87 g/mol
LogP13.14
Rot. Bonds5

About 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole

9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole (PubChem CID 67121569) has the molecular formula C48H33NS and a molecular weight of 655.87 g/mol. Its IUPAC name is 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole
PubChem CID67121569
Molecular FormulaC48H33NS
Molecular Weight655.87 g/mol
Exact Mass655.23
IUPAC Name9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole
SMILESC1=CC2Sc3c(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)cccc3C2C=C1
InChIInChI=1S/C48H33NS/c1-2-13-32(14-3-1)33-15-10-16-34(27-33)36-28-37(30-38(29-36)40-22-12-23-44-43-21-6-9-26-47(43)50-48(40)44)35-17-11-18-39(31-35)49-45-24-7-4-19-41(45)42-20-5-8-25-46(42)49/h1-31,43,47H
InChIKeyOBTPRWLUNJSRDB-UHFFFAOYSA-N
XLogP13.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.87
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-[3-[2-(3-methyl-2,3-dihydrocarbazol-9-yl)phenyl]phenyl]-6b,10a-dihydro-[1]benzothiolo[2,3-a]carbazole
CID 163782751
2-(5a,9a-dihydrodibenzothiophen-4-yl)-9-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]carbazole
CID 146532112
9-phenyl-2-(26-phenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,16,18,22,24-undecaen-5-yl)carbazole
CID 118860681
3-[9-[2-(5a,9a-dihydrodibenzothiophen-4-yl)benzimidazol-1-yl]dibenzothiophen-2-yl]-9-phenylcarbazole
CID 145202852
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265445
9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-3-[9-[3-[3-[3-[3-[3-[3-(3-phenylphenyl)phenyl]-5-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 167244726
9-(3,5-diphenylphenyl)-3-[9-(3,5-diphenylphenyl)-4b,8a-dihydrocarbazol-1-yl]carbazole
CID 118312808
5-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5a,9a-dihydrodibenzothiophen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145328046
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
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
11-[3-[3-[4-(5a,9a-dihydrodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 166917497

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole (CID 67121569) is 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole is C1=CC2Sc3c(-c4cc(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)cccc3C2C=C1.
What is the InChIKey of 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole?
The InChIKey is OBTPRWLUNJSRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NS/c1-2-13-32(14-3-1)33-15-10-16-34(27-33)36-28-37(30-38(29-36)40-22-12-23-44-43-21-6-9-26-47(43)50-48(40)44)35-17-11-18-39(31-35)49-45-24-7-4-19-41(45)42-20-5-8-25-46(42)49/h1-31,43,47H.
What are the key properties of 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole?
9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole has a molecular weight of 655.87 g/mol, XLogP of 13.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-(5a,9a-dihydrodibenzothiophen-4-yl)-5-(3-phenylphenyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 67121569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).