6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

C43H30 — CID 142424511

IUPAC6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESC1=Cc2c(c(-c3cc4ccccc4c4ccccc34)c3ccccc3c2-c2cccc3c2-c2ccccc2C2CC32)CC1
InChIInChI=1S/C43H30/c1-2-13-27-26(12-1)24-40(29-15-4-3-14-28(27)29)43-34-20-9-7-18-32(34)42(33-19-8-10-21-35(33)43)37-23-11-22-36-39-25-38(39)30-16-5-6-17-31(30)41(36)37/h1-9,11-20,22-24,38-39H,10,21,25H2
InChIKeyCPNREHXTZGDLDE-UHFFFAOYSA-N
MW546.71 g/mol
LogP11.69
Rot. Bonds2

About 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene

6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (PubChem CID 142424511) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.

Molecular Properties

Compound Name6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
PubChem CID142424511
Molecular FormulaC43H30
Molecular Weight546.71 g/mol
Exact Mass546.23
IUPAC Name6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
SMILESC1=Cc2c(c(-c3cc4ccccc4c4ccccc34)c3ccccc3c2-c2cccc3c2-c2ccccc2C2CC32)CC1
InChIInChI=1S/C43H30/c1-2-13-27-26(12-1)24-40(29-15-4-3-14-28(27)29)43-34-20-9-7-18-32(34)42(33-19-8-10-21-35(33)43)37-23-11-22-36-39-25-38(39)30-16-5-6-17-31(30)41(36)37/h1-9,11-20,22-24,38-39H,10,21,25H2
InChIKeyCPNREHXTZGDLDE-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.71
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

7-(10-phenanthren-9-ylanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424653
3-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 146269874
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
2-[4-[3-(10-benzo[a]anthracen-4-yl-1,2-dihydroanthracen-9-yl)phenyl]-3,5-diphenylphenyl]phenol
CID 88558283
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
2-[2-methyl-5-(10-naphthalen-1-yl-1,2-dihydroanthracen-9-yl)phenyl]benzenethiol
CID 166906974
4-[10-(5-phenyl-5,6-dihydronaphthalen-1-yl)-3,4-dihydroanthracen-9-yl]dibenzofuran
CID 145295470
2-[9-[3-(1,2-dihydrophenanthren-9-yl)phenyl]-10-(3-phenanthren-9-ylphenyl)-7,8-dihydroanthracen-2-yl]dibenzofuran
CID 146668989
2-[10-(4-phenylnaphthalen-1-yl)-1,2-dihydroanthracen-9-yl]naphtho[2,3-b][1]benzofuran
CID 174167803
7-[10-(7,8-dihydrophenanthren-9-yl)anthracen-9-yl]-1,2-dihydronaphtho[1,2-b][1]benzofuran
CID 155205203
9-naphthalen-1-yl-10-(10-phenanthren-9-ylanthracen-9-yl)anthracene
CID 140825341
4-benzo[a]anthracen-7-yl-2-(5,6-dihydronaphthalen-1-yl)benzenethiol
CID 167274212

Frequently Asked Questions

What is the IUPAC name of 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The IUPAC name of 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (CID 142424511) is 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene.
What is the SMILES notation for 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The canonical SMILES for 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is C1=Cc2c(c(-c3cc4ccccc4c4ccccc34)c3ccccc3c2-c2cccc3c2-c2ccccc2C2CC32)CC1.
What is the InChIKey of 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
The InChIKey is CPNREHXTZGDLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-2-13-27-26(12-1)24-40(29-15-4-3-14-28(27)29)43-34-20-9-7-18-32(34)42(33-19-8-10-21-35(33)43)37-23-11-22-36-39-25-38(39)30-16-5-6-17-31(30)41(36)37/h1-9,11-20,22-24,38-39H,10,21,25H2.
What are the key properties of 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene?
6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene has a molecular weight of 546.71 g/mol, XLogP of 11.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-phenanthren-9-yl-3,4-dihydroanthracen-9-yl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene is sourced from PubChem (CID 142424511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).