16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C54H30O2S — CID 130185868

IUPAC16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc(-c5cc6c7ccc8sc9ccccc9c8c7oc6c6ccccc56)cc4)c4ccccc34)cccc12
InChIInChI=1S/C54H30O2S/c1-6-18-39-33(12-1)44(30-45-41-28-29-48-51(54(41)56-53(39)45)42-19-8-10-23-47(42)57-48)31-24-26-32(27-25-31)49-35-14-2-4-16-37(35)50(38-17-5-3-15-36(38)49)43-21-11-20-40-34-13-7-9-22-46(34)55-52(40)43/h1-30H
InChIKeyRHNNMSDJGSUCIC-UHFFFAOYSA-N
MW742.90 g/mol
LogP16.31
Rot. Bonds3

About 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 130185868) has the molecular formula C54H30O2S and a molecular weight of 742.90 g/mol. Its IUPAC name is 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID130185868
Molecular FormulaC54H30O2S
Molecular Weight742.90 g/mol
Exact Mass742.20
IUPAC Name16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc(-c5cc6c7ccc8sc9ccccc9c8c7oc6c6ccccc56)cc4)c4ccccc34)cccc12
InChIInChI=1S/C54H30O2S/c1-6-18-39-33(12-1)44(30-45-41-28-29-48-51(54(41)56-53(39)45)42-19-8-10-23-47(42)57-48)31-24-26-32(27-25-31)49-35-14-2-4-16-37(35)50(38-17-5-3-15-36(38)49)43-21-11-20-40-34-13-7-9-22-46(34)55-52(40)43/h1-30H
InChIKeyRHNNMSDJGSUCIC-UHFFFAOYSA-N
XLogP16.31
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.90
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

21-[4-(10-dibenzofuran-2-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185860
9-[4-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-23-oxa-12-thiahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 130185881
4-(10-dibenzothiophen-1-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745848
7-(10-dibenzothiophen-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 153314398
12-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxa-22-thiahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1,4,6,8,10,12,14,16,18,20,23-undecaene
CID 163540975
7-(10-dibenzothiophen-2-ylanthracen-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 153314387
21-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130185681
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
N-(4-naphthalen-1-ylphenyl)-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]dibenzofuran-3-amine
CID 164989809
N-(4-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-4-yl-N-phenylaniline
CID 170040489
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 153289598
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746

Frequently Asked Questions

What is the IUPAC name of 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 130185868) is 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc2c(c1)oc1c(-c3c4ccccc4c(-c4ccc(-c5cc6c7ccc8sc9ccccc9c8c7oc6c6ccccc56)cc4)c4ccccc34)cccc12.
What is the InChIKey of 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is RHNNMSDJGSUCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30O2S/c1-6-18-39-33(12-1)44(30-45-41-28-29-48-51(54(41)56-53(39)45)42-19-8-10-23-47(42)57-48)31-24-26-32(27-25-31)49-35-14-2-4-16-37(35)50(38-17-5-3-15-36(38)49)43-21-11-20-40-34-13-7-9-22-46(34)55-52(40)43/h1-30H.
What are the key properties of 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 742.90 g/mol, XLogP of 16.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-[4-(10-dibenzofuran-4-ylanthracen-9-yl)phenyl]-24-oxa-9-thiahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 130185868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).