10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]

C37H23NOS — CID 134351785

IUPAC10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4Sc4cc5oc6ccccc6c5cc43)c3ccccc32)cc1
InChIInChI=1S/C37H23NOS/c1-2-12-24(13-3-1)38-31-18-8-5-15-27(31)37(28-16-6-9-19-32(28)38)29-17-7-11-21-35(29)40-36-23-34-26(22-30(36)37)25-14-4-10-20-33(25)39-34/h1-23H
InChIKeyRZRDTKFUQNTGTF-UHFFFAOYSA-N
MW529.66 g/mol
LogP10.22
Rot. Bonds1

About 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]

10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] (PubChem CID 134351785) has the molecular formula C37H23NOS and a molecular weight of 529.66 g/mol. Its IUPAC name is 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine].

Molecular Properties

Compound Name10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]
PubChem CID134351785
Molecular FormulaC37H23NOS
Molecular Weight529.66 g/mol
Exact Mass529.15
IUPAC Name10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4Sc4cc5oc6ccccc6c5cc43)c3ccccc32)cc1
InChIInChI=1S/C37H23NOS/c1-2-12-24(13-3-1)38-31-18-8-5-15-27(31)37(28-16-6-9-19-32(28)38)29-17-7-11-21-35(29)40-36-23-34-26(22-30(36)37)25-14-4-10-20-33(25)39-34/h1-23H
InChIKeyRZRDTKFUQNTGTF-UHFFFAOYSA-N
XLogP10.22
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.66
LogP ≤ 510.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] with MolForge

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Related Compounds

spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,21'-10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]
CID 134351939
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
10'-phenylspiro[10,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 134351783
21,21-dimethyl-10'-phenylspiro[10-oxa-21-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine]
CID 140853279
21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-thioxanthene]
CID 177278421
1-[4-(10'-phenylspiro[14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]-10-yl)phenyl]ethanamine
CID 145314004
14-[7-(10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)triphenylen-2-yl]-10-oxa-21-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139459653
2-tert-butyl-10'-dibenzofuran-3-yl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670412
10-phenyl-2-(9-phenylthioxanthen-9-yl)spiro[acridine-9,9'-fluorene]
CID 140899042
3,6-di(spiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-thioxanthene]-10-yl)xanthen-9-one;3-[4-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)phenyl]xanthen-9-one;3-(2'-propan-2-ylspiro[acridine-9,9'-xanthene]-10-yl)xanthen-9-one;3-(4-spiro[acridine-9,9'-thioxanthene]-10-ylphenyl)xanthen-9-one;3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 159218608
2,4-diphenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,9'-thioxanthene]-7-yl-1,3,5-triazine
CID 167340541
3-(14-oxo-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]-3'-yl)-N,N-diphenylaniline;14-oxo-N,N,10',14-tetraphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]-3'-amine;3'-phenothiazin-10-yl-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide;3'-phenoxazin-10-yl-10',14-diphenylspiro[10-oxa-14λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] 14-oxide
CID 164964191

Frequently Asked Questions

What is the IUPAC name of 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?
The IUPAC name of 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] (CID 134351785) is 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine].
What is the SMILES notation for 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?
The canonical SMILES for 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] is c1ccc(N2c3ccccc3C3(c4ccccc4Sc4cc5oc6ccccc6c5cc43)c3ccccc32)cc1.
What is the InChIKey of 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?
The InChIKey is RZRDTKFUQNTGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NOS/c1-2-12-24(13-3-1)38-31-18-8-5-15-27(31)37(28-16-6-9-19-32(28)38)29-17-7-11-21-35(29)40-36-23-34-26(22-30(36)37)25-14-4-10-20-33(25)39-34/h1-23H.
What are the key properties of 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine]?
10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] has a molecular weight of 529.66 g/mol, XLogP of 10.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-phenylspiro[10-oxa-14-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-acridine] is sourced from PubChem (CID 134351785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).