1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene

C168H104S4 — CID 163477689

IUPAC1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)c3c2)cc1
InChIInChI=1S/4C42H26S/c1-2-12-27(13-3-1)29-25-24-28-14-10-20-35(38(28)26-29)40-31-16-4-6-18-33(31)41(34-19-7-5-17-32(34)40)37-22-11-21-36-30-15-8-9-23-39(30)43-42(36)37;1-2-12-27(13-3-1)29-25-24-28-14-10-20-34(37(28)26-29)40-30-15-4-6-17-32(30)41(33-18-7-5-16-31(33)40)36-21-11-23-39-42(36)35-19-8-9-22-38(35)43-39;1-2-11-27(12-3-1)29-22-21-28-13-10-19-37(38(28)25-29)42-35-17-6-4-15-33(35)41(34-16-5-7-18-36(34)42)30-23-24-32-31-14-8-9-20-39(31)43-40(32)26-30;1-2-11-27(12-3-1)29-22-21-28-13-10-19-36(37(28)25-29)42-34-17-6-4-15-32(34)41(33-16-5-7-18-35(33)42)30-23-24-40-38(26-30)31-14-8-9-20-39(31)43-40/h4*1-26H
InChIKeyCBVZOQXMYIIFRQ-UHFFFAOYSA-N
MW2250.95 g/mol
LogP50.06
Rot. Bonds12

About 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene

1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene (PubChem CID 163477689) has the molecular formula C168H104S4 and a molecular weight of 2250.95 g/mol. Its IUPAC name is 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene.

Molecular Properties

Compound Name1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
PubChem CID163477689
Molecular FormulaC168H104S4
Molecular Weight2250.95 g/mol
Exact Mass2248.70
IUPAC Name1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)c3c2)cc1
InChIInChI=1S/4C42H26S/c1-2-12-27(13-3-1)29-25-24-28-14-10-20-35(38(28)26-29)40-31-16-4-6-18-33(31)41(34-19-7-5-17-32(34)40)37-22-11-21-36-30-15-8-9-23-39(30)43-42(36)37;1-2-12-27(13-3-1)29-25-24-28-14-10-20-34(37(28)26-29)40-30-15-4-6-17-32(30)41(33-18-7-5-16-31(33)40)36-21-11-23-39-42(36)35-19-8-9-22-38(35)43-39;1-2-11-27(12-3-1)29-22-21-28-13-10-19-37(38(28)25-29)42-35-17-6-4-15-33(35)41(34-16-5-7-18-36(34)42)30-23-24-32-31-14-8-9-20-39(31)43-40(32)26-30;1-2-11-27(12-3-1)29-22-21-28-13-10-19-36(37(28)25-29)42-34-17-6-4-15-32(34)41(33-16-5-7-18-35(33)42)30-23-24-40-38(26-30)31-14-8-9-20-39(31)43-40/h4*1-26H
InChIKeyCBVZOQXMYIIFRQ-UHFFFAOYSA-N
XLogP50.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002250.95
LogP ≤ 550.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene with MolForge

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Related Compounds

1-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 157305682
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;1-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene
CID 165021765
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaene
CID 122427284
16-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426019
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-9,23-dithiahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3(8),4,6,11,14,16(24),17,19,21-undecaene
CID 130213049
2,6-bis(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzofuran;2,6-bis(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzofuran;8-[10-[6-(10-naphtho[1,2-b][1]benzofuran-8-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 162050752
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;2-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;4-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenylanthracen-9-yl)dibenzothiophene
CID 160745128
19-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-9,24-dithiahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 130186408
1-[10-[6-(10-dibenzothiophen-1-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;2-[10-[6-(10-dibenzothiophen-2-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;3-[10-[6-(10-dibenzothiophen-3-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene;4-[10-[6-(10-dibenzothiophen-4-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]dibenzothiophene
CID 162098129
6-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-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 122427490
6-(10-naphthalen-1-ylanthracen-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 122427237
18-(10-naphthalen-1-ylanthracen-9-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 163504489

Frequently Asked Questions

What is the IUPAC name of 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene?
The IUPAC name of 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene (CID 163477689) is 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene.
What is the SMILES notation for 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene?
The canonical SMILES for 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene is c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccc6sc7ccccc7c6c5)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6c5sc5ccccc56)c5ccccc45)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5cccc6sc7ccccc7c56)c5ccccc45)c3c2)cc1.
What is the InChIKey of 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene?
The InChIKey is CBVZOQXMYIIFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C42H26S/c1-2-12-27(13-3-1)29-25-24-28-14-10-20-35(38(28)26-29)40-31-16-4-6-18-33(31)41(34-19-7-5-17-32(34)40)37-22-11-21-36-30-15-8-9-23-39(30)43-42(36)37;1-2-12-27(13-3-1)29-25-24-28-14-10-20-34(37(28)26-29)40-30-15-4-6-17-32(30)41(33-18-7-5-16-31(33)40)36-21-11-23-39-42(36)35-19-8-9-22-38(35)43-39;1-2-11-27(12-3-1)29-22-21-28-13-10-19-37(38(28)25-29)42-35-17-6-4-15-33(35)41(34-16-5-7-18-36(34)42)30-23-24-32-31-14-8-9-20-39(31)43-40(32)26-30;1-2-11-27(12-3-1)29-22-21-28-13-10-19-36(37(28)25-29)42-34-17-6-4-15-32(34)41(33-16-5-7-18-35(33)42)30-23-24-40-38(26-30)31-14-8-9-20-39(31)43-40/h4*1-26H.
What are the key properties of 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene?
1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene has a molecular weight of 2250.95 g/mol, XLogP of 50.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;2-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;3-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 163477689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).