10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene

C46H26OS — CID 164741566

IUPAC10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
SMILESc1ccc2c(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8c9ccccc9oc8c67)cc5c4c3)cccc2c1
InChIInChI=1S/C46H26OS/c1-2-10-31-27(8-1)9-7-14-32(31)30-18-23-44-41(26-30)40-25-29(17-22-43(40)48-44)28-16-19-37-39(24-28)34-12-4-3-11-33(34)36-20-21-38-35-13-5-6-15-42(35)47-46(38)45(36)37/h1-26H
InChIKeyQWMDSXGDPJTKSO-UHFFFAOYSA-N
MW626.78 g/mol
LogP13.90
Rot. Bonds2

About 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene

10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene (PubChem CID 164741566) has the molecular formula C46H26OS and a molecular weight of 626.78 g/mol. Its IUPAC name is 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene.

Molecular Properties

Compound Name10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
PubChem CID164741566
Molecular FormulaC46H26OS
Molecular Weight626.78 g/mol
Exact Mass626.17
IUPAC Name10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
SMILESc1ccc2c(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8c9ccccc9oc8c67)cc5c4c3)cccc2c1
InChIInChI=1S/C46H26OS/c1-2-10-31-27(8-1)9-7-14-32(31)30-18-23-44-41(26-30)40-25-29(17-22-43(40)48-44)28-16-19-37-39(24-28)34-12-4-3-11-33(34)36-20-21-38-35-13-5-6-15-42(35)47-46(38)45(36)37/h1-26H
InChIKeyQWMDSXGDPJTKSO-UHFFFAOYSA-N
XLogP13.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.78
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(8-anthracen-2-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene
CID 164741505
5,18-dinaphthalen-1-yl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 118933534
5-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 122426934
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430
6-(3-dibenzofuran-4-yl-5-triphenylen-2-ylphenyl)-3-[7-(4-dibenzothiophen-2-ylphenyl)triphenylen-2-yl]dibenzofuran
CID 155257383
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435096
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
4-N-dibenzofuran-3-yl-2-dibenzothiophen-2-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;3-N-dibenzofuran-3-yl-5-[4-(21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-yl)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;2-dibenzothiophen-2-yl-4-N-dibenzothiophen-3-yl-1-N-(4-naphthalen-1-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 159169915
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-(2-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 167326338
3-[3-dibenzofuran-3-yl-5-[7-[3,5-di(dibenzofuran-3-yl)phenyl]triphenylen-2-yl]phenyl]-6-(7-triphenylen-2-yldibenzothiophen-3-yl)dibenzofuran
CID 137458884
20-[12-(3-naphthalen-1-ylphenyl)benzo[10]annulen-5-yl]-9,24-dioxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaene
CID 130212360

Frequently Asked Questions

What is the IUPAC name of 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene?
The IUPAC name of 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene (CID 164741566) is 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene.
What is the SMILES notation for 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene?
The canonical SMILES for 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene is c1ccc2c(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8c9ccccc9oc8c67)cc5c4c3)cccc2c1.
What is the InChIKey of 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene?
The InChIKey is QWMDSXGDPJTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26OS/c1-2-10-31-27(8-1)9-7-14-32(31)30-18-23-44-41(26-30)40-25-29(17-22-43(40)48-44)28-16-19-37-39(24-28)34-12-4-3-11-33(34)36-20-21-38-35-13-5-6-15-42(35)47-46(38)45(36)37/h1-26H.
What are the key properties of 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene?
10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene has a molecular weight of 626.78 g/mol, XLogP of 13.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(8-naphthalen-1-yldibenzothiophen-2-yl)-16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15(23),17,19,21,24-dodecaene is sourced from PubChem (CID 164741566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).