5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C53H31NOS — CID 118880723

IUPAC5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3cc21
InChIInChI=1S/C53H31NOS/c1-2-15-36-34(13-1)33(32-25-28-52-41(29-32)38-17-5-12-24-51(38)56-52)26-27-47(36)54-46-21-9-4-16-37(46)40-30-39-35-14-3-6-18-42(35)53(45(39)31-48(40)54)43-19-7-10-22-49(43)55-50-23-11-8-20-44(50)53/h1-31H
InChIKeyHZOPHZGFJXUEPV-UHFFFAOYSA-N
MW729.90 g/mol
LogP14.44
Rot. Bonds2

About 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]

5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 118880723) has the molecular formula C53H31NOS and a molecular weight of 729.90 g/mol. Its IUPAC name is 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID118880723
Molecular FormulaC53H31NOS
Molecular Weight729.90 g/mol
Exact Mass729.21
IUPAC Name5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3cc21
InChIInChI=1S/C53H31NOS/c1-2-15-36-34(13-1)33(32-25-28-52-41(29-32)38-17-5-12-24-51(38)56-52)26-27-47(36)54-46-21-9-4-16-37(46)40-30-39-35-14-3-6-18-42(35)53(45(39)31-48(40)54)43-19-7-10-22-49(43)55-50-23-11-8-20-44(50)53/h1-31H
InChIKeyHZOPHZGFJXUEPV-UHFFFAOYSA-N
XLogP14.44
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.90
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 118880723) is 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2cc3c4ccccc4n(-c4ccc(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3cc21.
What is the InChIKey of 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is HZOPHZGFJXUEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31NOS/c1-2-15-36-34(13-1)33(32-25-28-52-41(29-32)38-17-5-12-24-51(38)56-52)26-27-47(36)54-46-21-9-4-16-37(46)40-30-39-35-14-3-6-18-42(35)53(45(39)31-48(40)54)43-19-7-10-22-49(43)55-50-23-11-8-20-44(50)53/h1-31H.
What are the key properties of 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 729.90 g/mol, XLogP of 14.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-dibenzothiophen-2-ylnaphthalen-1-yl)spiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 118880723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).