11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C48H28OS2 — CID 122431837

IUPAC11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESS=S1c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc13)c1oc3ccccc3c21
InChIInChI=1S/C48H28OS2/c50-51-42-23-10-8-21-39(42)46-43(51)28-40(48-47(46)38-20-7-9-22-41(38)49-48)45-36-18-5-3-16-34(36)44(35-17-4-6-19-37(35)45)33-15-11-14-31(27-33)32-25-24-29-12-1-2-13-30(29)26-32/h1-28H
InChIKeyVWBNUJFEDLPIOL-UHFFFAOYSA-N
MW684.89 g/mol
LogP13.53
Rot. Bonds3

About 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 122431837) has the molecular formula C48H28OS2 and a molecular weight of 684.89 g/mol. Its IUPAC name is 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID122431837
Molecular FormulaC48H28OS2
Molecular Weight684.89 g/mol
Exact Mass684.16
IUPAC Name11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESS=S1c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc13)c1oc3ccccc3c21
InChIInChI=1S/C48H28OS2/c50-51-42-23-10-8-21-39(42)46-43(51)28-40(48-47(46)38-20-7-9-22-41(38)49-48)45-36-18-5-3-16-34(36)44(35-17-4-6-19-37(35)45)33-15-11-14-31(27-33)32-25-24-29-12-1-2-13-30(29)26-32/h1-28H
InChIKeyVWBNUJFEDLPIOL-UHFFFAOYSA-N
XLogP13.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.89
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

14,14-dimethyl-11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426897
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
4-(10-naphthalen-2-ylanthracen-9-yl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 167187041
1-[3-(9-dibenzofuran-4-yl-10-phenylanthracen-2-yl)-10-naphthalen-2-ylanthracen-9-yl]dibenzofuran
CID 138749818
2-naphthalen-2-yl-1-phenyl-5-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176745941
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762
11-(2-naphthalen-2-yl-10-phenylanthracen-9-yl)-9,17-dioxahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1,3,5,7,10,12,14,16(24),18,20,22-undecaene
CID 164818022
5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427327
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 176862831
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;5-(10-naphthalen-2-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran;11-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;5-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 159515776
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
16-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122415748

Frequently Asked Questions

What is the IUPAC name of 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 122431837) is 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is S=S1c2ccccc2-c2c1cc(-c1c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc13)c1oc3ccccc3c21.
What is the InChIKey of 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is VWBNUJFEDLPIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28OS2/c50-51-42-23-10-8-21-39(42)46-43(51)28-40(48-47(46)38-20-7-9-22-41(38)49-48)45-36-18-5-3-16-34(36)44(35-17-4-6-19-37(35)45)33-15-11-14-31(27-33)32-25-24-29-12-1-2-13-30(29)26-32/h1-28H.
What are the key properties of 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 684.89 g/mol, XLogP of 13.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]-14-sulfanylidene-9-oxa-14λ4-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 122431837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).