7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]

C30H16BrNS — CID 122619013

IUPAC7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3cc4sc5ccccc5c4cc31)c1ccncc1-2
InChIInChI=1S/C30H16BrNS/c31-17-9-10-19-23-16-32-12-11-25(23)30(26(19)13-17)24-7-3-1-5-18(24)21-15-29-22(14-27(21)30)20-6-2-4-8-28(20)33-29/h1-16H
InChIKeyOVZXPARLWKEBAV-UHFFFAOYSA-N
MW502.44 g/mol
LogP8.56
Rot. Bonds

About 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]

7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine] (PubChem CID 122619013) has the molecular formula C30H16BrNS and a molecular weight of 502.44 g/mol. Its IUPAC name is 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine].

Molecular Properties

Compound Name7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]
PubChem CID122619013
Molecular FormulaC30H16BrNS
Molecular Weight502.44 g/mol
Exact Mass501.02
IUPAC Name7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]
SMILESBrc1ccc2c(c1)C1(c3ccccc3-c3cc4sc5ccccc5c4cc31)c1ccncc1-2
InChIInChI=1S/C30H16BrNS/c31-17-9-10-19-23-16-32-12-11-25(23)30(26(19)13-17)24-7-3-1-5-18(24)21-15-29-22(14-27(21)30)20-6-2-4-8-28(20)33-29/h1-16H
InChIKeyOVZXPARLWKEBAV-UHFFFAOYSA-N
XLogP8.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.44
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine] with MolForge

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Related Compounds

11'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 130463583
7'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]
CID 122618095
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573636
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-pyridin-3-yl-2-spiro[fluoreno[3,2-b][1]benzothiole-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 160565164
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519
7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-b]pyridine]
CID 122631539
5-(6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzothiole]-2-ylpyren-1-yl)quinoline
CID 122631592
4,6-diphenyl-2-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573571
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
10,10-diphenyl-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaen-14-one
CID 164838771
2-bromodibenzothiophene;dibenzothiophene
CID 158379286

Frequently Asked Questions

What is the IUPAC name of 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]?
The IUPAC name of 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine] (CID 122619013) is 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine].
What is the SMILES notation for 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]?
The canonical SMILES for 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine] is Brc1ccc2c(c1)C1(c3ccccc3-c3cc4sc5ccccc5c4cc31)c1ccncc1-2.
What is the InChIKey of 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]?
The InChIKey is OVZXPARLWKEBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16BrNS/c31-17-9-10-19-23-16-32-12-11-25(23)30(26(19)13-17)24-7-3-1-5-18(24)21-15-29-22(14-27(21)30)20-6-2-4-8-28(20)33-29/h1-16H.
What are the key properties of 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine]?
7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine] has a molecular weight of 502.44 g/mol, XLogP of 8.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-bromospiro[fluoreno[3,2-b][1]benzothiole-11,5'-indeno[1,2-c]pyridine] is sourced from PubChem (CID 122619013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).