9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene

C46H34 — CID 142424528

IUPAC9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCc1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)ccc1C1CC1c1ccccc1
InChIInChI=1S/C46H34/c1-30-28-33(24-25-34(30)44-29-43(44)32-16-6-3-7-17-32)45-38-20-10-12-22-40(38)46(41-23-13-11-21-39(41)45)42-27-26-35(31-14-4-2-5-15-31)36-18-8-9-19-37(36)42/h2-28,43-44H,29H2,1H3
InChIKeyUWZVOMSFPCXEPH-UHFFFAOYSA-N
MW586.78 g/mol
LogP12.73
Rot. Bonds5

About 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene

9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 142424528) has the molecular formula C46H34 and a molecular weight of 586.78 g/mol. Its IUPAC name is 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

Compound Name9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
PubChem CID142424528
Molecular FormulaC46H34
Molecular Weight586.78 g/mol
Exact Mass586.27
IUPAC Name9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
SMILESCc1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)ccc1C1CC1c1ccccc1
InChIInChI=1S/C46H34/c1-30-28-33(24-25-34(30)44-29-43(44)32-16-6-3-7-17-32)45-38-20-10-12-22-40(38)46(41-23-13-11-21-39(41)45)42-27-26-35(31-14-4-2-5-15-31)36-18-8-9-19-37(36)42/h2-28,43-44H,29H2,1H3
InChIKeyUWZVOMSFPCXEPH-UHFFFAOYSA-N
XLogP12.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.78
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424590
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809
7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424780
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-phenyl-10-[4-[6-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene;9-phenyl-10-[4-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]phenyl]anthracene;9-phenyl-10-[4-[4-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene;9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 159018384
9-[4-[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]naphthalen-1-yl]-10-phenylanthracene
CID 58174880
9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424653
5-methyl-2-[3-[10-[4-(4-methylphenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]pyridine
CID 152919658
2-phenyl-5-[3-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]phenyl]furan
CID 137391745

Frequently Asked Questions

What is the IUPAC name of 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene?
The IUPAC name of 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene (CID 142424528) is 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene.
What is the SMILES notation for 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene?
The canonical SMILES for 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene is Cc1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c4ccccc34)c3ccccc23)ccc1C1CC1c1ccccc1.
What is the InChIKey of 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene?
The InChIKey is UWZVOMSFPCXEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34/c1-30-28-33(24-25-34(30)44-29-43(44)32-16-6-3-7-17-32)45-38-20-10-12-22-40(38)46(41-23-13-11-21-39(41)45)42-27-26-35(31-14-4-2-5-15-31)36-18-8-9-19-37(36)42/h2-28,43-44H,29H2,1H3.
What are the key properties of 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene?
9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 586.78 g/mol, XLogP of 12.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 142424528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).