18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

C52H30OS — CID 163937512

IUPAC18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7cc8c(ccc9sc%10ccccc%10c98)cc7c6c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C52H30OS/c1-2-10-31(11-3-1)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-21-20-32-26-33(18-19-34(32)27-37)35-22-24-46-44(28-35)45-29-36-23-25-49-52(43(36)30-47(45)53-46)42-16-8-9-17-48(42)54-49/h1-30H
InChIKeyIDCGFYFNFIVEID-UHFFFAOYSA-N
MW702.88 g/mol
LogP15.57
Rot. Bonds3

About 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene

18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (PubChem CID 163937512) has the molecular formula C52H30OS and a molecular weight of 702.88 g/mol. Its IUPAC name is 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

Compound Name18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
PubChem CID163937512
Molecular FormulaC52H30OS
Molecular Weight702.88 g/mol
Exact Mass702.20
IUPAC Name18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7cc8c(ccc9sc%10ccccc%10c98)cc7c6c5)ccc4c3)c3ccccc23)cc1
InChIInChI=1S/C52H30OS/c1-2-10-31(11-3-1)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-21-20-32-26-33(18-19-34(32)27-37)35-22-24-46-44(28-35)45-29-36-23-25-49-52(43(36)30-47(45)53-46)42-16-8-9-17-48(42)54-49/h1-30H
InChIKeyIDCGFYFNFIVEID-UHFFFAOYSA-N
XLogP15.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.88
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene with MolForge

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Related Compounds

18-anthracen-9-yl-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 130212682
2-[10-(9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)anthracen-9-yl]dibenzofuran
CID 163780356
18-(10-phenylanthracen-9-yl)-22-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 130190380
19-(10-phenylanthracen-9-yl)-15-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16(21),17,19,23-undecaene
CID 155312879
20-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-9,16-dioxahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17(22),18,20-undecaene
CID 130213581
18-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-9,22-dithiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 163943562
20-[4-(10-phenylanthracen-9-yl)phenyl]-16-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 130190509
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 146606986
18-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-oxa-22-thiahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16(21),17,19,23-undecaene
CID 130190577
6-(10-dibenzofuran-2-ylanthracen-9-yl)-9-oxa-14-thiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 153314424
6-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122426398
3-(10-naphthalen-2-ylanthracen-9-yl)naphtho[2,1-b][1]benzothiole
CID 122415548

Frequently Asked Questions

What is the IUPAC name of 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The IUPAC name of 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene (CID 163937512) is 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene.
What is the SMILES notation for 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The canonical SMILES for 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is c1ccc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6oc7cc8c(ccc9sc%10ccccc%10c98)cc7c6c5)ccc4c3)c3ccccc23)cc1.
What is the InChIKey of 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
The InChIKey is IDCGFYFNFIVEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30OS/c1-2-10-31(11-3-1)50-38-12-4-6-14-40(38)51(41-15-7-5-13-39(41)50)37-21-20-32-26-33(18-19-34(32)27-37)35-22-24-46-44(28-35)45-29-36-23-25-49-52(43(36)30-47(45)53-46)42-16-8-9-17-48(42)54-49/h1-30H.
What are the key properties of 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene?
18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene has a molecular weight of 702.88 g/mol, XLogP of 15.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-22-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 163937512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).