5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene

C43H32 — CID 143060546

IUPAC5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
SMILESC=C/C=C(\C=C/C)c1c2ccccc2c(-c2ccccc2)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C43H32/c1-3-18-30(19-4-2)38-34-26-14-15-27-35(34)40(32-22-10-6-11-23-32)43-41(33-24-12-7-13-25-33)37-29-17-16-28-36(37)39(42(38)43)31-20-8-5-9-21-31/h3-29H,1H2,2H3/b19-4-,30-18+
InChIKeyDRPZCJANIDJOGG-GZNHBTAKSA-N
MW548.73 g/mol
LogP12.29
Rot. Bonds6

About 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene

5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene (PubChem CID 143060546) has the molecular formula C43H32 and a molecular weight of 548.73 g/mol. Its IUPAC name is 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene.

Molecular Properties

Compound Name5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
PubChem CID143060546
Molecular FormulaC43H32
Molecular Weight548.73 g/mol
Exact Mass548.25
IUPAC Name5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
SMILESC=C/C=C(\C=C/C)c1c2ccccc2c(-c2ccccc2)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C43H32/c1-3-18-30(19-4-2)38-34-26-14-15-27-35(34)40(32-22-10-6-11-23-32)43-41(33-24-12-7-13-25-33)37-29-17-16-28-36(37)39(42(38)43)31-20-8-5-9-21-31/h3-29H,1H2,2H3/b19-4-,30-18+
InChIKeyDRPZCJANIDJOGG-GZNHBTAKSA-N
XLogP12.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 512.29
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'}

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Related Compounds

5,12-bis[(3E,5Z)-hepta-1,3,5-trien-3-yl]-6,11-diphenyltetracene
CID 144761623
N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724
N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline
CID 143539879
9-[9-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-10-phenylanthracen-2-yl]naphtho[2,1-b][1]benzothiole
CID 118629813
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[(3E)-hexa-1,3,5-trien-3-yl]-4,5-diphenyl-1H-pyrrole
CID 145108251
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]naphthalene
CID 142474091
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-phenylbenzene;methane;propane
CID 142497192
1,3-bis[(2E,4Z)-hexa-2,4-dien-3-yl]-4-methyl-5-[(2E)-penta-2,4-dien-2-yl]-2-phenylbenzene
CID 174013774
9-(2,4-diphenylphenyl)-2,3-bis(ethenyl)-10-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2-phenylphenyl]anthracene
CID 145493781
7-(3,5-diphenylphenyl)-15-[15-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-phenylphenyl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaen-7-yl]-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(20),2(21),3,5,7,9,12,14,16,18-decaene
CID 139483319

Frequently Asked Questions

What is the IUPAC name of 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene?
The IUPAC name of 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene (CID 143060546) is 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene.
What is the SMILES notation for 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene?
The canonical SMILES for 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene is C=C/C=C(\C=C/C)c1c2ccccc2c(-c2ccccc2)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12.
What is the InChIKey of 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene?
The InChIKey is DRPZCJANIDJOGG-GZNHBTAKSA-N. The full InChI is InChI=1S/C43H32/c1-3-18-30(19-4-2)38-34-26-14-15-27-35(34)40(32-22-10-6-11-23-32)43-41(33-24-12-7-13-25-33)37-29-17-16-28-36(37)39(42(38)43)31-20-8-5-9-21-31/h3-29H,1H2,2H3/b19-4-,30-18+.
What are the key properties of 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene?
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene has a molecular weight of 548.73 g/mol, XLogP of 12.29, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene is sourced from PubChem (CID 143060546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).