9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene

C40H30 — CID 142424597

IUPAC9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene
SMILESCC1=C\c2c(cccc2-c2ccccc2)C/C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C/C=C\1
InChIInChI=1S/C40H30/c1-28-14-12-20-32(27-31-19-13-25-33(38(31)26-28)29-15-4-2-5-16-29)40-36-23-10-8-21-34(36)39(30-17-6-3-7-18-30)35-22-9-11-24-37(35)40/h2-26H,27H2,1H3/b14-12-,28-26+,32-20-
InChIKeyBBTCXRFHKXIUHI-UDJLFIPUSA-N
MW510.68 g/mol
LogP10.93
Rot. Bonds3

About 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene

9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene (PubChem CID 142424597) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene.

Molecular Properties

Compound Name9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene
PubChem CID142424597
Molecular FormulaC40H30
Molecular Weight510.68 g/mol
Exact Mass510.23
IUPAC Name9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene
SMILESCC1=C\c2c(cccc2-c2ccccc2)C/C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C/C=C\1
InChIInChI=1S/C40H30/c1-28-14-12-20-32(27-31-19-13-25-33(38(31)26-28)29-15-4-2-5-16-29)40-36-23-10-8-21-34(36)39(30-17-6-3-7-18-30)35-22-9-11-24-37(35)40/h2-26H,27H2,1H3/b14-12-,28-26+,32-20-
InChIKeyBBTCXRFHKXIUHI-UDJLFIPUSA-N
XLogP10.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene with MolForge

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Related Compounds

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CID 18008269
2,4-bis(2-methylphenyl)-1H-indene
CID 139712954
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CID 18008362
2-phenyl-4-(4-propylphenyl)-1H-indene;zirconium
CID 174563339
dimethyl-[(4-phenyl-1H-inden-2-yl)methylidene]silane
CID 19077787
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339

Frequently Asked Questions

What is the IUPAC name of 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene?
The IUPAC name of 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene (CID 142424597) is 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene.
What is the SMILES notation for 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene?
The canonical SMILES for 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene is CC1=C\c2c(cccc2-c2ccccc2)C/C(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=C/C=C\1.
What is the InChIKey of 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene?
The InChIKey is BBTCXRFHKXIUHI-UDJLFIPUSA-N. The full InChI is InChI=1S/C40H30/c1-28-14-12-20-32(27-31-19-13-25-33(38(31)26-28)29-15-4-2-5-16-29)40-36-23-10-8-21-34(36)39(30-17-6-3-7-18-30)35-22-9-11-24-37(35)40/h2-26H,27H2,1H3/b14-12-,28-26+,32-20-.
What are the key properties of 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene?
9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene has a molecular weight of 510.68 g/mol, XLogP of 10.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene is sourced from PubChem (CID 142424597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).