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 — IUPAC name, SMILES, InChIKey & properties

Name: 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 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 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

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 (PubChem CID 158994497) has the molecular formula C226H140S6 and a molecular weight of 3048.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name	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
PubChem CID	158994497
Molecular Formula	C226H140S6
Molecular Weight	3048.01 g/mol
Exact Mass	3044.93
IUPAC Name	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
SMILES	c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)ccc2c1
InChI	InChI=1S/C42H26S.C40H24S.2C38H24S.C36H22S.C32H20S/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)30-24-25-34-33-13-7-8-19-39(33)43-40(34)26-30;1-2-12-27-25(11-1)23-36(29-14-4-3-13-28(27)29)40-33-18-7-5-16-31(33)39(32-17-6-8-19-34(32)40)26-21-22-38-35(24-26)30-15-9-10-20-37(30)41-38;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;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;1-2-10-24-21-25(18-17-23(24)9-1)35-29-12-3-5-14-31(29)36(32-15-6-4-13-30(32)35)26-19-20-28-27-11-7-8-16-33(27)37-34(28)22-26;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;1-24H;2*1-24H;1-22H;1-20H
InChIKey	JQOMPYYWPXBGML-UHFFFAOYSA-N
XLogP	67.78
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	15
Heavy Atoms	232
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3048.01
LogP ≤ 5	67.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc(-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5sc6ccccc6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)sc3ccccc34)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5ccc6c(c5)sc5ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc4sc5ccccc5c4c3)c3ccccc13)c1ccccc12.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)sc4ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 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?

The InChIKey is JQOMPYYWPXBGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26S.C40H24S.2C38H24S.C36H22S.C32H20S/c1-2-12-31-27(10-1)11-9-18-32(31)28-20-22-29(23-21-28)41-35-14-3-5-16-37(35)42(38-17-6-4-15-36(38)41)30-24-25-34-33-13-7-8-19-39(33)43-40(34)26-30;1-2-12-27-25(11-1)23-36(29-14-4-3-13-28(27)29)40-33-18-7-5-16-31(33)39(32-17-6-8-19-34(32)40)26-21-22-38-35(24-26)30-15-9-10-20-37(30)41-38;1-2-11-25(12-3-1)26-13-10-14-27(23-26)37-30-16-4-6-18-32(30)38(33-19-7-5-17-31(33)37)28-21-22-36-34(24-28)29-15-8-9-20-35(29)39-36;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;1-2-10-24-21-25(18-17-23(24)9-1)35-29-12-3-5-14-31(29)36(32-15-6-4-13-30(32)35)26-19-20-28-27-11-7-8-16-33(27)37-34(28)22-26;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;1-24H;2*1-24H;1-22H;1-20H.

What are the key properties of 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?

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158994497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).