3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole

C67H46N2S — CID 139319626

About 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole

3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole (PubChem CID 139319626) has the molecular formula C67H46N2S and a molecular weight of 911.19 g/mol. Its IUPAC name is 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole.

Molecular Properties

• Compound Name: 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole
• PubChem CID: 139319626
• Molecular Formula: C67H46N2S
• Molecular Weight: 911.19 g/mol
• Exact Mass: 910.34
• IUPAC Name: 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole
• SMILES: C=C(c1ccccc1)c1c(/C=C\C)n(-c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc12
• InChI: InChI=1S/C67H46N2S/c1-3-18-63-67(44(2)45-19-7-4-8-20-45)59-42-50(33-37-62(59)68(63)53-26-17-25-48(39-53)51-34-38-66-58(41-51)56-28-14-16-30-65(56)70-66)49-32-36-61-57(40-49)55-27-13-15-29-60(55)69(61)64-43-52(46-21-9-5-10-22-46)31-35-54(64)47-23-11-6-12-24-47/h3-43H,2H2,1H3/b18-3-
• InChIKey: PNIFEDPFCHMDMU-ZUWFHJRGSA-N
• XLogP: 18.86
• TPSA: 9.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.19
LogP ≤ 5	18.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole?

The IUPAC name of 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole (CID 139319626) is 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole.

What is the SMILES notation for 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole?

The canonical SMILES for 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole is C=C(c1ccccc1)c1c(/C=C\C)n(-c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cc(-c4ccccc4)ccc3-c3ccccc3)cc12.

What is the InChIKey of 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole?

The InChIKey is PNIFEDPFCHMDMU-ZUWFHJRGSA-N. The full InChI is InChI=1S/C67H46N2S/c1-3-18-63-67(44(2)45-19-7-4-8-20-45)59-42-50(33-37-62(59)68(63)53-26-17-25-48(39-53)51-34-38-66-58(41-51)56-28-14-16-30-65(56)70-66)49-32-36-61-57(40-49)55-27-13-15-29-60(55)69(61)64-43-52(46-21-9-5-10-22-46)31-35-54(64)47-23-11-6-12-24-47/h3-43H,2H2,1H3/b18-3-.

What are the key properties of 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole?

3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole has a molecular weight of 911.19 g/mol, XLogP of 18.86, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3-dibenzothiophen-2-ylphenyl)-3-(1-phenylethenyl)-2-[(Z)-prop-1-enyl]indol-5-yl]-9-(2,5-diphenylphenyl)carbazole is sourced from PubChem (CID 139319626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).