9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene

C51H40 — CID 145174551

IUPAC9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene
SMILESC/C=C\C(=C/CC)c1cc(-c2ccccc2)cc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C51H40/c1-3-18-36(19-4-2)40-30-41(37-20-8-5-9-21-37)33-44(32-40)50-46-26-14-16-28-48(46)51(49-29-17-15-27-47(49)50)45-34-42(38-22-10-6-11-23-38)31-43(35-45)39-24-12-7-13-25-39/h3,5-35H,4H2,1-2H3/b18-3-,36-19+
InChIKeyFZNMCPNJCOOPGU-YNLCNNRTSA-N
MW652.88 g/mol
LogP14.70
Rot. Bonds8

About 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene

9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene (PubChem CID 145174551) has the molecular formula C51H40 and a molecular weight of 652.88 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene
PubChem CID145174551
Molecular FormulaC51H40
Molecular Weight652.88 g/mol
Exact Mass652.31
IUPAC Name9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene
SMILESC/C=C\C(=C/CC)c1cc(-c2ccccc2)cc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)c1
InChIInChI=1S/C51H40/c1-3-18-36(19-4-2)40-30-41(37-20-8-5-9-21-37)33-44(32-40)50-46-26-14-16-28-48(46)51(49-29-17-15-27-47(49)50)45-34-42(38-22-10-6-11-23-38)31-43(35-45)39-24-12-7-13-25-39/h3,5-35H,4H2,1-2H3/b18-3-,36-19+
InChIKeyFZNMCPNJCOOPGU-YNLCNNRTSA-N
XLogP14.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.88
LogP ≤ 514.70
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

ethane;9-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-10-naphthalen-2-ylanthracene
CID 143094204
1-[3-(3,5-diphenylphenyl)-5-(4-methylphenyl)phenyl]-3-hepta-2,4-dien-3-yl-5-phenylbenzene
CID 123950143
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-phenylphenyl]-5-phenylbenzene
CID 143388590
ethane;2-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;propane
CID 145452765
1-[3-[(2Z,4E,6Z)-nona-2,4,6-trien-5-yl]phenyl]-3-[3-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]phenyl]-5-phenylbenzene
CID 143388720
N-[4-[4-(20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaen-20-yl)phenyl]phenyl]-N-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-phenylaniline
CID 142363433
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]-6-[(2Z,4E)-hepta-2,4-dien-4-yl]-N-methylpyridin-4-amine
CID 144772412
1-chloro-3-[(E)-pent-2-en-2-yl]-5-[4-(3-phenylphenyl)phenyl]benzene
CID 145174310
ethane;N-[[3-[5-[(2Z,4E)-hepta-2,4-dien-4-yl]-2-phenylphenyl]-5-phenylphenyl]-phenylmethylidene]-N'-methylbenzenecarboximidamide
CID 145272412
ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene
CID 145073107
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-phenylbenzene;methane
CID 144938526
6-[9-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-6-hydroxycarbazol-3-yl]-9-(4-phenylphenyl)carbazol-3-ol
CID 142356989

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene?
The IUPAC name of 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene (CID 145174551) is 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene?
The canonical SMILES for 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene is C/C=C\C(=C/CC)c1cc(-c2ccccc2)cc(-c2c3ccccc3c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c3ccccc23)c1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene?
The InChIKey is FZNMCPNJCOOPGU-YNLCNNRTSA-N. The full InChI is InChI=1S/C51H40/c1-3-18-36(19-4-2)40-30-41(37-20-8-5-9-21-37)33-44(32-40)50-46-26-14-16-28-48(46)51(49-29-17-15-27-47(49)50)45-34-42(38-22-10-6-11-23-38)31-43(35-45)39-24-12-7-13-25-39/h3,5-35H,4H2,1-2H3/b18-3-,36-19+.
What are the key properties of 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene?
9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene has a molecular weight of 652.88 g/mol, XLogP of 14.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-10-[3-[(2Z,4E)-hepta-2,4-dien-4-yl]-5-phenylphenyl]anthracene is sourced from PubChem (CID 145174551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).