2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene

C30H32S — CID 142828635

IUPAC2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene
SMILESC/C=C\C=C/Cc1ccc(-c2ccc3c(CCC)c4ccccc4c(CCC)c3c2)s1
InChIInChI=1S/C30H32S/c1-4-7-8-9-14-23-18-20-30(31-23)22-17-19-28-24(12-5-2)26-15-10-11-16-27(26)25(13-6-3)29(28)21-22/h4,7-11,15-21H,5-6,12-14H2,1-3H3/b7-4-,9-8-
InChIKeyGXPOPCMOJIVWCR-UHWGBUKQSA-N
MW424.65 g/mol
LogP9.30
Rot. Bonds8

About 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene

2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene (PubChem CID 142828635) has the molecular formula C30H32S and a molecular weight of 424.65 g/mol. Its IUPAC name is 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene.

Molecular Properties

Compound Name2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene
PubChem CID142828635
Molecular FormulaC30H32S
Molecular Weight424.65 g/mol
Exact Mass424.22
IUPAC Name2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene
SMILESC/C=C\C=C/Cc1ccc(-c2ccc3c(CCC)c4ccccc4c(CCC)c3c2)s1
InChIInChI=1S/C30H32S/c1-4-7-8-9-14-23-18-20-30(31-23)22-17-19-28-24(12-5-2)26-15-10-11-16-27(26)25(13-6-3)29(28)21-22/h4,7-11,15-21H,5-6,12-14H2,1-3H3/b7-4-,9-8-
InChIKeyGXPOPCMOJIVWCR-UHWGBUKQSA-N
XLogP9.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9,10-dibutylanthracen-2-yl)-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]thiophene
CID 142828551
2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dibutylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-phenylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
CID 158205814
2-(9,10-diethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-diethylanthracen-2-yl)-5-naphthalen-2-ylthiophene;2-(9,10-diethylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-diethylanthracen-2-yl)-5-phenylthiophene;2-(9,10-diethylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene;2-(9,10-dimethylanthracen-2-yl)-5-naphthalen-1-ylthiophene;2-(9,10-dimethylanthracen-2-yl)-5-naphthalen-2-ylthiophene;2-(9,10-dimethylanthracen-2-yl)-5-phenylthiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-1-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-naphthalen-2-ylthiophen-2-yl)thiophene;2-(9,10-dipropylanthracen-2-yl)-5-(5-phenylthiophen-2-yl)thiophene
CID 160596059
2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
2-(5-pentylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 90049074
ethane;9-methyl-10-propylanthracene
CID 144649779
5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene
CID 144685078
5,17-bis(5-octylthiophen-2-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 118288601
6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
CID 101211334
3,7-bis[5-(5-hexylthiophen-2-yl)thiophen-2-yl]dibenzothiophene
CID 59489217
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
2,7-bis(5-ethylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 59141277

Frequently Asked Questions

What is the IUPAC name of 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene?
The IUPAC name of 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene (CID 142828635) is 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene.
What is the SMILES notation for 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene?
The canonical SMILES for 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene is C/C=C\C=C/Cc1ccc(-c2ccc3c(CCC)c4ccccc4c(CCC)c3c2)s1.
What is the InChIKey of 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene?
The InChIKey is GXPOPCMOJIVWCR-UHWGBUKQSA-N. The full InChI is InChI=1S/C30H32S/c1-4-7-8-9-14-23-18-20-30(31-23)22-17-19-28-24(12-5-2)26-15-10-11-16-27(26)25(13-6-3)29(28)21-22/h4,7-11,15-21H,5-6,12-14H2,1-3H3/b7-4-,9-8-.
What are the key properties of 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene?
2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene has a molecular weight of 424.65 g/mol, XLogP of 9.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,10-dipropylanthracen-2-yl)-5-[(2Z,4Z)-hexa-2,4-dienyl]thiophene is sourced from PubChem (CID 142828635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).