5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole

C48H30N2S — CID 171414679

IUPAC5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-11-31(12-3-1)33-13-10-14-36(27-33)50-44-19-8-5-16-38(44)42-29-45-41(30-46(42)50)37-15-4-7-18-43(37)49(45)35-24-21-32(22-25-35)34-23-26-40-39-17-6-9-20-47(39)51-48(40)28-34/h1-30H
InChIKeyFVPDSATVXXVJLP-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole

5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole (PubChem CID 171414679) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
PubChem CID171414679
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C48H30N2S/c1-2-11-31(12-3-1)33-13-10-14-36(27-33)50-44-19-8-5-16-38(44)42-29-45-41(30-46(42)50)37-15-4-7-18-43(37)49(45)35-24-21-32(22-25-35)34-23-26-40-39-17-6-9-20-47(39)51-48(40)28-34/h1-30H
InChIKeyFVPDSATVXXVJLP-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193329
2-(3-carbazol-9-ylphenyl)-9-dibenzothiophen-3-ylcarbazole
CID 118392029
9-dibenzothiophen-3-yl-3-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-6-phenylcarbazole
CID 129265425
3-[9-(3-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 138475005
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-6-phenyl-9-(4-phenylphenyl)carbazole
CID 170072646
3-[9-(3-dibenzothiophen-3-yl-5-phenylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 155305939
3-carbazol-9-yl-9-dibenzothiophen-2-ylcarbazole;3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazole;3-carbazol-9-yl-9-(3-phenylphenyl)carbazole
CID 161384804
3-dibenzothiophen-3-yl-9-phenylcarbazole
CID 121324897
5-[4-(9-phenylcarbazol-2-yl)phenyl]-11-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 134168715
10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzothiolo[2,3-b]carbazole
CID 160787122
11-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 167193260
7-[3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]phenyl]-[1]benzothiolo[2,3-b]carbazole
CID 167193311

Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
The IUPAC name of 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole (CID 171414679) is 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c2)cc1.
What is the InChIKey of 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
The InChIKey is FVPDSATVXXVJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-11-31(12-3-1)33-13-10-14-36(27-33)50-44-19-8-5-16-38(44)42-29-45-41(30-46(42)50)37-15-4-7-18-43(37)49(45)35-24-21-32(22-25-35)34-23-26-40-39-17-6-9-20-47(39)51-48(40)28-34/h1-30H.
What are the key properties of 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole?
5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-3-ylphenyl)-11-(3-phenylphenyl)indolo[3,2-b]carbazole is sourced from PubChem (CID 171414679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).