7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole

C48H31NS — CID 142356250

IUPAC7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)c3)c2)cc1
InChIInChI=1S/C48H31NS/c1-3-13-32(14-4-1)34-17-11-19-36(25-34)38-27-39(37-20-12-18-35(26-37)33-15-5-2-6-16-33)29-40(28-38)49-45-23-9-7-21-41(45)43-30-44-42-22-8-10-24-47(42)50-48(44)31-46(43)49/h1-31H
InChIKeyKHJNUFSOSFJEJM-UHFFFAOYSA-N
MW653.85 g/mol
LogP13.82
Rot. Bonds5

About 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole

7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole (PubChem CID 142356250) has the molecular formula C48H31NS and a molecular weight of 653.85 g/mol. Its IUPAC name is 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole.

Molecular Properties

Compound Name7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
PubChem CID142356250
Molecular FormulaC48H31NS
Molecular Weight653.85 g/mol
Exact Mass653.22
IUPAC Name7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole
SMILESc1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)c3)c2)cc1
InChIInChI=1S/C48H31NS/c1-3-13-32(14-4-1)34-17-11-19-36(25-34)38-27-39(37-20-12-18-35(26-37)33-15-5-2-6-16-33)29-40(28-38)49-45-23-9-7-21-41(45)43-30-44-42-22-8-10-24-47(42)50-48(44)31-46(43)49/h1-31H
InChIKeyKHJNUFSOSFJEJM-UHFFFAOYSA-N
XLogP13.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.85
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311
7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]-[1]benzothiolo[2,3-b]carbazole
CID 154946577
7-dibenzothiophen-2-yl-5-(3,5-diphenylphenyl)indolo[2,3-b]carbazole
CID 170111743
7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
7-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193195
10-dibenzothiophen-3-yl-23-(3,5-diphenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324813
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
3-dibenzothiophen-2-yl-9-(3,5-diphenylphenyl)carbazole;3-dibenzothiophen-2-yl-9-[4-(4-phenylphenyl)phenyl]carbazole;3-dibenzothiophen-2-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole
CID 158633685
7-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193393
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
The IUPAC name of 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole (CID 142356250) is 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole.
What is the SMILES notation for 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
The canonical SMILES for 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole is c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5cc6c(cc54)sc4ccccc46)c3)c2)cc1.
What is the InChIKey of 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
The InChIKey is KHJNUFSOSFJEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NS/c1-3-13-32(14-4-1)34-17-11-19-36(25-34)38-27-39(37-20-12-18-35(26-37)33-15-5-2-6-16-33)29-40(28-38)49-45-23-9-7-21-41(45)43-30-44-42-22-8-10-24-47(42)50-48(44)31-46(43)49/h1-31H.
What are the key properties of 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole?
7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole has a molecular weight of 653.85 g/mol, XLogP of 13.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-bis(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-b]carbazole is sourced from PubChem (CID 142356250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).