9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene

C49H34 — CID 144837155

IUPAC9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene
SMILESC1=CC(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=Cc2c(cccc2-c2cccc(-c3ccccc3-c3ccccc3)c2)C1
InChIInChI=1S/C49H34/c1-3-16-34(17-4-1)40-25-7-8-26-41(40)37-22-14-23-38(32-37)42-31-15-21-35-20-13-24-39(33-47(35)42)49-45-29-11-9-27-43(45)48(36-18-5-2-6-19-36)44-28-10-12-30-46(44)49/h1-19,21-33H,20H2
InChIKeyRZACWBOBDYHIFE-UHFFFAOYSA-N
MW622.81 g/mol
LogP13.31
Rot. Bonds5

About 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene

9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene (PubChem CID 144837155) has the molecular formula C49H34 and a molecular weight of 622.81 g/mol. Its IUPAC name is 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene.

Molecular Properties

Compound Name9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene
PubChem CID144837155
Molecular FormulaC49H34
Molecular Weight622.81 g/mol
Exact Mass622.27
IUPAC Name9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene
SMILESC1=CC(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=Cc2c(cccc2-c2cccc(-c3ccccc3-c3ccccc3)c2)C1
InChIInChI=1S/C49H34/c1-3-16-34(17-4-1)40-25-7-8-26-41(40)37-22-14-23-38(32-37)42-31-15-21-35-20-13-24-39(33-47(35)42)49-45-29-11-9-27-43(45)48(36-18-5-2-6-19-36)44-28-10-12-30-46(44)49/h1-19,21-33H,20H2
InChIKeyRZACWBOBDYHIFE-UHFFFAOYSA-N
XLogP13.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.81
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-10-[3-[2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]phenyl]anthracene
CID 58711316
9-phenyl-10-[10-[4-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 140825339
9-phenyl-10-[5-(4-phenylphenyl)-8-[3-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837402
9-[(6E,8Z,10E)-10-methyl-1-phenyl-5H-benzo[9]annulen-6-yl]-10-phenylanthracene
CID 142424597
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 161206323
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene;9-(3-phenylphenyl)-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 159958636
1-cyclohexa-1,5-dien-1-yl-3-(2-phenylphenyl)benzene
CID 145066213
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
10-(3-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 143060198
9-(2,3-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706319

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene?
The IUPAC name of 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene (CID 144837155) is 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene.
What is the SMILES notation for 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene?
The canonical SMILES for 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene is C1=CC(c2c3ccccc3c(-c3ccccc3)c3ccccc23)=Cc2c(cccc2-c2cccc(-c3ccccc3-c3ccccc3)c2)C1.
What is the InChIKey of 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene?
The InChIKey is RZACWBOBDYHIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34/c1-3-16-34(17-4-1)40-25-7-8-26-41(40)37-22-14-23-38(32-37)42-31-15-21-35-20-13-24-39(33-47(35)42)49-45-29-11-9-27-43(45)48(36-18-5-2-6-19-36)44-28-10-12-30-46(44)49/h1-19,21-33H,20H2.
What are the key properties of 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene?
9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene has a molecular weight of 622.81 g/mol, XLogP of 13.31, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-10-[4-[3-(2-phenylphenyl)phenyl]-9H-benzo[7]annulen-6-yl]anthracene is sourced from PubChem (CID 144837155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).