7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

C41H28 — CID 142424590

IUPAC7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C3CC43)c3ccccc23)cc1
InChIInChI=1S/C41H28/c1-2-12-26(13-3-1)28-14-4-7-17-32(28)41-35-20-10-8-18-33(35)40(34-19-9-11-21-36(34)41)27-22-23-31-37(24-27)29-15-5-6-16-30(29)38-25-39(31)38/h1-24,38-39H,25H2
InChIKeySVMRVRRSEMUNFZ-UHFFFAOYSA-N
MW520.68 g/mol
LogP11.25
Rot. Bonds3

About 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (PubChem CID 142424590) has the molecular formula C41H28 and a molecular weight of 520.68 g/mol. Its IUPAC name is 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.

Molecular Properties

Compound Name7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
PubChem CID142424590
Molecular FormulaC41H28
Molecular Weight520.68 g/mol
Exact Mass520.22
IUPAC Name7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C3CC43)c3ccccc23)cc1
InChIInChI=1S/C41H28/c1-2-12-26(13-3-1)28-14-4-7-17-32(28)41-35-20-10-8-18-33(35)40(34-19-9-11-21-36(34)41)27-22-23-31-37(24-27)29-15-5-6-16-30(29)38-25-39(31)38/h1-24,38-39H,25H2
InChIKeySVMRVRRSEMUNFZ-UHFFFAOYSA-N
XLogP11.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 511.25
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-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424780
7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424653
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
2-phenyl-10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracene
CID 158302450
9-[3-methyl-4-(2-phenylcyclopropyl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 142424528
9-[2-(4-phenylphenyl)phenyl]-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568797
9,10-bis[2-(4-phenylphenyl)phenyl]anthracene
CID 59090311
2-[10-[10-(2-phenylphenyl)anthracen-9-yl]anthracen-9-yl]triphenylene
CID 59583077
9-(2-phenylphenyl)-10-[7-[10-(2-phenylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracene
CID 153438356
7-[4-[10-(1a,9b-dihydro-1H-cyclopropa[l]phenanthren-8-yl)anthracen-9-yl]phenyl]naphthalene-1,2,3,4,5,6,8-heptol
CID 163725509
9-(2-phenylphenyl)-10-[10-(2-phenylphenyl)anthracen-9-yl]anthracene
CID 21043381

Frequently Asked Questions

What is the IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The IUPAC name of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (CID 142424590) is 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.
What is the SMILES notation for 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The canonical SMILES for 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C3CC43)c3ccccc23)cc1.
What is the InChIKey of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The InChIKey is SVMRVRRSEMUNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28/c1-2-12-26(13-3-1)28-14-4-7-17-32(28)41-35-20-10-8-18-33(35)40(34-19-9-11-21-36(34)41)27-22-23-31-37(24-27)29-15-5-6-16-30(29)38-25-39(31)38/h1-24,38-39H,25H2.
What are the key properties of 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene has a molecular weight of 520.68 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(2-phenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is sourced from PubChem (CID 142424590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).