10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine

C45H27NOS — CID 134551337

IUPAC10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3c2-c2c(oc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C45H27NOS/c1-4-16-34-31(12-1)32-13-2-5-17-35(32)45(34)36-18-11-15-30(42(36)43-33-14-3-8-21-39(33)47-44(43)45)28-24-26-29(27-25-28)46-37-19-6-9-22-40(37)48-41-23-10-7-20-38(41)46/h1-27H
InChIKeyUVYBSVZWOLTDBK-UHFFFAOYSA-N
MW629.78 g/mol
LogP12.38
Rot. Bonds2

About 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine

10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine (PubChem CID 134551337) has the molecular formula C45H27NOS and a molecular weight of 629.78 g/mol. Its IUPAC name is 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine.

Molecular Properties

Compound Name10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine
PubChem CID134551337
Molecular FormulaC45H27NOS
Molecular Weight629.78 g/mol
Exact Mass629.18
IUPAC Name10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine
SMILESc1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3c2-c2c(oc4ccccc24)C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C45H27NOS/c1-4-16-34-31(12-1)32-13-2-5-17-35(32)45(34)36-18-11-15-30(42(36)43-33-14-3-8-21-39(33)47-44(43)45)28-24-26-29(27-25-28)46-37-19-6-9-22-40(37)48-41-23-10-7-20-38(41)46/h1-27H
InChIKeyUVYBSVZWOLTDBK-UHFFFAOYSA-N
XLogP12.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.78
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenylspiro[9-oxa-13-thia-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3(8),4,6,14,16,18-octaene-11,9'-fluorene]
CID 165387682
4'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]
CID 165387658
N-(4-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-amine
CID 134551292
10-[4-(5,9,9-triphenylfluoren-2-yl)phenyl]phenothiazine
CID 155153839
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
10-(2'-phenothiazin-10-yl-9,9'-spirobi[fluorene]-4-yl)phenothiazine
CID 140915422
9-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]carbazole;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]-9,9-dimethylacridine;10-[4-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]phenothiazine
CID 164975433
4-phenyl-2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 134529244
N,N-diphenyl-2'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-amine;N,N-diphenyl-4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2-yl]aniline;N,N-diphenyl-4-(10-phenylphenazin-5-yl)-9,9'-spirobi[fluorene]-2'-amine;N-(4-phenothiazin-10-yl-9,9'-spirobi[fluorene]-2'-yl)-N-phenyldibenzofuran-4-amine
CID 158612477
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-phenylspiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]
CID 165387576
3-isocyano-2-(4-spiro[9,13-dioxa-20-azapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),2(10),3,5,7,14,16,18-octaene-11,9'-fluorene]-20-ylphenyl)benzonitrile
CID 165387657
2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-8'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(3-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine;2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)pyrimidine
CID 159409707

Frequently Asked Questions

What is the IUPAC name of 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine?
The IUPAC name of 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine (CID 134551337) is 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine.
What is the SMILES notation for 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine?
The canonical SMILES for 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine is c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2cccc3c2-c2c(oc4ccccc24)C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine?
The InChIKey is UVYBSVZWOLTDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27NOS/c1-4-16-34-31(12-1)32-13-2-5-17-35(32)45(34)36-18-11-15-30(42(36)43-33-14-3-8-21-39(33)47-44(43)45)28-24-26-29(27-25-28)46-37-19-6-9-22-40(37)48-41-23-10-7-20-38(41)46/h1-27H.
What are the key properties of 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine?
10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine has a molecular weight of 629.78 g/mol, XLogP of 12.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-10'-ylphenyl)phenothiazine is sourced from PubChem (CID 134551337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).