7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

C43H28 — CID 142424653

IUPAC7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESc1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc1C1CC21
InChIInChI=1S/C43H28/c1-2-12-28-26(11-1)23-41(32-16-6-3-13-29(28)32)43-36-19-9-7-17-34(36)42(35-18-8-10-20-37(35)43)27-21-22-33-38(24-27)30-14-4-5-15-31(30)39-25-40(33)39/h1-24,39-40H,25H2
InChIKeyIHAVQQFWCJVXRM-UHFFFAOYSA-N
MW544.70 g/mol
LogP11.88
Rot. Bonds2

About 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (PubChem CID 142424653) has the molecular formula C43H28 and a molecular weight of 544.70 g/mol. Its IUPAC name is 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.

Molecular Properties

Compound Name7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
PubChem CID142424653
Molecular FormulaC43H28
Molecular Weight544.70 g/mol
Exact Mass544.22
IUPAC Name7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESc1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc1C1CC21
InChIInChI=1S/C43H28/c1-2-12-28-26(11-1)23-41(32-16-6-3-13-29(28)32)43-36-19-9-7-17-34(36)42(35-18-8-10-20-37(35)43)27-21-22-33-38(24-27)30-14-4-5-15-31(30)39-25-40(33)39/h1-24,39-40H,25H2
InChIKeyIHAVQQFWCJVXRM-UHFFFAOYSA-N
XLogP11.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', '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
7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424780
9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenanthren-9-ylanthracene
CID 123428518
6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424511
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
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-(2,6-diphenylphenyl)-10-phenanthren-9-ylanthracene
CID 171447415
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58050569

Frequently Asked Questions

What is the IUPAC name of 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The IUPAC name of 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (CID 142424653) is 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.
What is the SMILES notation for 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The canonical SMILES for 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is c1ccc2c(c1)-c1cc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)ccc1C1CC21.
What is the InChIKey of 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The InChIKey is IHAVQQFWCJVXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28/c1-2-12-28-26(11-1)23-41(32-16-6-3-13-29(28)32)43-36-19-9-7-17-34(36)42(35-18-8-10-20-37(35)43)27-21-22-33-38(24-27)30-14-4-5-15-31(30)39-25-40(33)39/h1-24,39-40H,25H2.
What are the key properties of 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene has a molecular weight of 544.70 g/mol, XLogP of 11.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is sourced from PubChem (CID 142424653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).