9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene

C42H38 — CID 123779654

IUPAC9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene
SMILESC=CC=CC(=C)C(=C)C=CC(=C)c1c2ccccc2c(C(=C)C=CC(=C)C(=C)C=CC=C)c2cc(C=C)c(C=C)cc12
InChIInChI=1S/C42H38/c1-11-15-19-29(5)31(7)23-25-33(9)41-37-21-17-18-22-38(37)42(34(10)26-24-32(8)30(6)20-16-12-2)40-28-36(14-4)35(13-3)27-39(40)41/h11-28H,1-10H2
InChIKeyOBIOZJOXYCQOFP-UHFFFAOYSA-N
MW542.77 g/mol
LogP12.13
Rot. Bonds14

About 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene

9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene (PubChem CID 123779654) has the molecular formula C42H38 and a molecular weight of 542.77 g/mol. Its IUPAC name is 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene.

Molecular Properties

Compound Name9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene
PubChem CID123779654
Molecular FormulaC42H38
Molecular Weight542.77 g/mol
Exact Mass542.30
IUPAC Name9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene
SMILESC=CC=CC(=C)C(=C)C=CC(=C)c1c2ccccc2c(C(=C)C=CC(=C)C(=C)C=CC=C)c2cc(C=C)c(C=C)cc12
InChIInChI=1S/C42H38/c1-11-15-19-29(5)31(7)23-25-33(9)41-37-21-17-18-22-38(37)42(34(10)26-24-32(8)30(6)20-16-12-2)40-28-36(14-4)35(13-3)27-39(40)41/h11-28H,1-10H2
InChIKeyOBIOZJOXYCQOFP-UHFFFAOYSA-N
XLogP12.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.77
LogP ≤ 512.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene with MolForge

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Related Compounds

10-[(3Z,7Z)-8-[2-[(1Z)-buta-1,3-dienyl]phenyl]-5,6-dimethylideneocta-1,3,7-trien-2-yl]-9-naphthalen-2-yl-2-phenylanthracene
CID 58194233
(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;methane
CID 156726265
2,3-bis(ethenyl)phenanthrene
CID 144756778
9,10-bis(dibromomethylidene)-2,3-bis(ethenyl)anthracene
CID 145053371
benzene;(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraene;ethane;methane
CID 164901853
9-[4-[3-(5,6-dimethylidenedeca-3,7,9-trien-3-yl)phenyl]phenyl]-10-phenylanthracene
CID 123877672
8,9-bis(ethenyl)-12-hexa-2,4-dien-2-yl-5-hexa-1,3,5-trien-2-ylbenzo[10]annulene
CID 123191110
6-[6-[10-[(3Z)-hexa-1,3,5-trien-2-yl]anthracen-9-yl]naphthalen-2-yl]-10,22-dithiahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 130213994
[(2Z,6Z)-4,5-dimethylidenenona-2,6,8-trien-3-yl]benzene
CID 142604894
(2E)-1-phenylpenta-2,4-dien-1-one
CID 11019140
(2Z)-4-(10-phenylanthracen-9-yl)penta-2,4-dienethial
CID 129066637
N-hexa-1,3,5-trien-2-ylbenzamide
CID 123631469

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene?
The IUPAC name of 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene (CID 123779654) is 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene.
What is the SMILES notation for 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene?
The canonical SMILES for 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene is C=CC=CC(=C)C(=C)C=CC(=C)c1c2ccccc2c(C(=C)C=CC(=C)C(=C)C=CC=C)c2cc(C=C)c(C=C)cc12.
What is the InChIKey of 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene?
The InChIKey is OBIOZJOXYCQOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38/c1-11-15-19-29(5)31(7)23-25-33(9)41-37-21-17-18-22-38(37)42(34(10)26-24-32(8)30(6)20-16-12-2)40-28-36(14-4)35(13-3)27-39(40)41/h11-28H,1-10H2.
What are the key properties of 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene?
9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene has a molecular weight of 542.77 g/mol, XLogP of 12.13, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl)-2,3-bis(ethenyl)anthracene is sourced from PubChem (CID 123779654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).