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]

C37H23NO2 — CID 134351783

IUPAC10'-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]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5c(cc43)oc3ccccc35)c3ccccc32)cc1
InChIInChI=1S/C37H23NO2/c1-2-12-24(13-3-1)38-31-18-8-5-15-27(31)37(28-16-6-9-19-32(28)38)29-17-7-11-21-34(29)40-36-22-26-25-14-4-10-20-33(25)39-35(26)23-30(36)37/h1-23H
InChIKeyUMZCNSYLQDNZFA-UHFFFAOYSA-N
MW513.60 g/mol
LogP9.86
Rot. Bonds1

About 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]

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] (PubChem CID 134351783) has the molecular formula C37H23NO2 and a molecular weight of 513.60 g/mol. Its IUPAC name is 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].

Molecular Properties

Compound Name10'-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]
PubChem CID134351783
Molecular FormulaC37H23NO2
Molecular Weight513.60 g/mol
Exact Mass513.17
IUPAC Name10'-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]
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5c(cc43)oc3ccccc35)c3ccccc32)cc1
InChIInChI=1S/C37H23NO2/c1-2-12-24(13-3-1)38-31-18-8-5-15-27(31)37(28-16-6-9-19-32(28)38)29-17-7-11-21-34(29)40-36-22-26-25-14-4-10-20-33(25)39-35(26)23-30(36)37/h1-23H
InChIKeyUMZCNSYLQDNZFA-UHFFFAOYSA-N
XLogP9.86
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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] with MolForge

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Related Compounds

2'-[(1Z)-buta-1,3-dienyl]-3'-methyl-1'-phenylspiro[10,14-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,4'-quinoline]
CID 134353475
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
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
10'-phenyl-10-(9-phenylcarbazol-3-yl)spiro[21-oxa-10-azapentacyclo[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 134351848
14'-phenylspiro[14-oxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,15,17,19-nonaene-10,10'-21-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-21-one
CID 164757668
2,4-diphenyl-6-spiro[10,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine
CID 138495802
2-[(4-dibenzofuran-2-ylphenyl)methyl]-10-phenylphenoxazine
CID 167665630
2-N,2-N,8-N-triphenyl-8-N-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)dibenzofuran-2,8-diamine
CID 155483177
2,8-di(dibenzofuran-2-yl)-10-phenylphenoxazine
CID 126612197
N-dibenzofuran-2-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-4'-amine
CID 155240558
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026

Frequently Asked Questions

What is the IUPAC name of 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]?
The IUPAC name of 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) is 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].
What is the SMILES notation for 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]?
The canonical SMILES for 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] is c1ccc(N2c3ccccc3C3(c4ccccc4Oc4cc5c(cc43)oc3ccccc35)c3ccccc32)cc1.
What is the InChIKey of 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]?
The InChIKey is UMZCNSYLQDNZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NO2/c1-2-12-24(13-3-1)38-31-18-8-5-15-27(31)37(28-16-6-9-19-32(28)38)29-17-7-11-21-34(29)40-36-22-26-25-14-4-10-20-33(25)39-35(26)23-30(36)37/h1-23H.
What are the key properties of 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]?
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] has a molecular weight of 513.60 g/mol, XLogP of 9.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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] is sourced from PubChem (CID 134351783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).