3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene

C188H118S5 — CID 158571909

IUPAC3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26S.3C38H24S.C32H20S/c1-2-14-29-27(12-1)13-11-22-30(29)31-15-3-4-17-34(31)42-37-20-7-5-18-35(37)41(36-19-6-8-21-38(36)42)28-24-25-33-32-16-9-10-23-39(32)43-40(33)26-28;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)28-21-22-30-29-15-8-9-20-35(29)39-36(30)24-28;1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-31-13-4-6-15-33(31)38(34-16-7-5-14-32(34)37)28-22-23-30-29-12-8-9-17-35(29)39-36(30)24-28;1-2-12-25(13-3-1)27-14-4-5-16-30(27)38-33-19-8-6-17-31(33)37(32-18-7-9-20-34(32)38)26-22-23-29-28-15-10-11-21-35(28)39-36(29)24-26;1-2-10-21(11-3-1)31-25-13-4-6-15-27(25)32(28-16-7-5-14-26(28)31)22-18-19-24-23-12-8-9-17-29(23)33-30(24)20-22/h1-26H;3*1-24H;1-20H
InChIKeyHSEJQJVUCNXSMC-UHFFFAOYSA-N
MW2537.35 g/mol
LogP56.30
Rot. Bonds14

About 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene

3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene (PubChem CID 158571909) has the molecular formula C188H118S5 and a molecular weight of 2537.35 g/mol. Its IUPAC name is 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene.

Molecular Properties

Compound Name3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
PubChem CID158571909
Molecular FormulaC188H118S5
Molecular Weight2537.35 g/mol
Exact Mass2534.78
IUPAC Name3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1
InChIInChI=1S/C42H26S.3C38H24S.C32H20S/c1-2-14-29-27(12-1)13-11-22-30(29)31-15-3-4-17-34(31)42-37-20-7-5-18-35(37)41(36-19-6-8-21-38(36)42)28-24-25-33-32-16-9-10-23-39(32)43-40(33)26-28;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)28-21-22-30-29-15-8-9-20-35(29)39-36(30)24-28;1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-31-13-4-6-15-33(31)38(34-16-7-5-14-32(34)37)28-22-23-30-29-12-8-9-17-35(29)39-36(30)24-28;1-2-12-25(13-3-1)27-14-4-5-16-30(27)38-33-19-8-6-17-31(33)37(32-18-7-9-20-34(32)38)26-22-23-29-28-15-10-11-21-35(28)39-36(29)24-26;1-2-10-21(11-3-1)31-25-13-4-6-15-27(25)32(28-16-7-5-14-26(28)31)22-18-19-24-23-12-8-9-17-29(23)33-30(24)20-22/h1-26H;3*1-24H;1-20H
InChIKeyHSEJQJVUCNXSMC-UHFFFAOYSA-N
XLogP56.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms193
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002537.35
LogP ≤ 556.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene with MolForge

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Related Compounds

7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122426841
3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;2-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 158994497
3-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;3-(10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzothiophene;2-(10-phenanthren-9-ylanthracen-9-yl)dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 158408767
3-(10-benzo[a]anthracen-4-ylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole;3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole;3-[10-(2-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole;3-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole;3-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,3-b][1]benzothiole
CID 159620290
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene
CID 158722566
3-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzothiole
CID 118503674
9-(2-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 144568898
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 159977577
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
4-(10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzothiophene;4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene;3-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene;4-[3-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzothiophene;4-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzothiophene;3-[3-(10-phenylanthracen-9-yl)phenyl]dibenzothiophene;4-[4-(10-phenylanthracen-9-yl)phenyl]dibenzothiophene;3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzothiophene;4-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;4-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene
CID 158343256
9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene
CID 165020657

Frequently Asked Questions

What is the IUPAC name of 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
The IUPAC name of 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene (CID 158571909) is 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene.
What is the SMILES notation for 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
The canonical SMILES for 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.
What is the InChIKey of 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
The InChIKey is HSEJQJVUCNXSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26S.3C38H24S.C32H20S/c1-2-14-29-27(12-1)13-11-22-30(29)31-15-3-4-17-34(31)42-37-20-7-5-18-35(37)41(36-19-6-8-21-38(36)42)28-24-25-33-32-16-9-10-23-39(32)43-40(33)26-28;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)28-21-22-30-29-15-8-9-20-35(29)39-36(30)24-28;1-2-10-25(11-3-1)26-18-20-27(21-19-26)37-31-13-4-6-15-33(31)38(34-16-7-5-14-32(34)37)28-22-23-30-29-12-8-9-17-35(29)39-36(30)24-28;1-2-12-25(13-3-1)27-14-4-5-16-30(27)38-33-19-8-6-17-31(33)37(32-18-7-9-20-34(32)38)26-22-23-29-28-15-10-11-21-35(28)39-36(29)24-26;1-2-10-21(11-3-1)31-25-13-4-6-15-27(25)32(28-16-7-5-14-26(28)31)22-18-19-24-23-12-8-9-17-29(23)33-30(24)20-22/h1-26H;3*1-24H;1-20H.
What are the key properties of 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene?
3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene has a molecular weight of 2537.35 g/mol, XLogP of 56.30, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzothiophene;3-(10-phenylanthracen-9-yl)dibenzothiophene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(3-phenylphenyl)anthracen-9-yl]dibenzothiophene;3-[10-(4-phenylphenyl)anthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 158571909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).