2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene

C30H26 — CID 123551842

IUPAC2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene
SMILESCc1c2c(c(C)c3c1CC=C3)CC(c1ccc3c(C)c4ccccc4c(C)c3c1)=C2
InChIInChI=1S/C30H26/c1-17-23-8-5-6-9-24(23)18(2)28-14-21(12-13-27(17)28)22-15-29-19(3)25-10-7-11-26(25)20(4)30(29)16-22/h5-10,12-14,16H,11,15H2,1-4H3
InChIKeyHVEROTYPWRXMLE-UHFFFAOYSA-N
MW386.54 g/mol
LogP7.89
Rot. Bonds1

About 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene

2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene (PubChem CID 123551842) has the molecular formula C30H26 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene.

Molecular Properties

Compound Name2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene
PubChem CID123551842
Molecular FormulaC30H26
Molecular Weight386.54 g/mol
Exact Mass386.20
IUPAC Name2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene
SMILESCc1c2c(c(C)c3c1CC=C3)CC(c1ccc3c(C)c4ccccc4c(C)c3c1)=C2
InChIInChI=1S/C30H26/c1-17-23-8-5-6-9-24(23)18(2)28-14-21(12-13-27(17)28)22-15-29-19(3)25-10-7-11-26(25)20(4)30(29)16-22/h5-10,12-14,16H,11,15H2,1-4H3
InChIKeyHVEROTYPWRXMLE-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 57.89
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

9,10-dimethyl-3,4-dihydrophenanthrene
CID 142416253
9,10-dimethyl-1,2-dihydroanthracene
CID 71409601
10-methyl-9-(4-methylphenyl)-1,2-dihydroanthracene
CID 143123986
3-(9,10-dimethylanthracen-2-yl)-1,6-dihydropyrene
CID 123734144
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
tetrakis(N,N-dimethylethanamine);ethane;bis(tetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaene)
CID 161066548
2,9,10-trimethylphenanthrene
CID 11345039
9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59561091
3,4,8-trimethyl-1,5-dihydro-s-indacene
CID 140702039
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
5,11-dibromo-10H-cyclohepta[b]naphthalene
CID 143834873
4,7-diphenyl-1H-indene
CID 14940861

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene?
The IUPAC name of 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene (CID 123551842) is 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene.
What is the SMILES notation for 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene?
The canonical SMILES for 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene is Cc1c2c(c(C)c3c1CC=C3)CC(c1ccc3c(C)c4ccccc4c(C)c3c1)=C2.
What is the InChIKey of 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene?
The InChIKey is HVEROTYPWRXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26/c1-17-23-8-5-6-9-24(23)18(2)28-14-21(12-13-27(17)28)22-15-29-19(3)25-10-7-11-26(25)20(4)30(29)16-22/h5-10,12-14,16H,11,15H2,1-4H3.
What are the key properties of 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene?
2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene has a molecular weight of 386.54 g/mol, XLogP of 7.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-1,5-dihydro-s-indacen-2-yl)-9,10-dimethylanthracene is sourced from PubChem (CID 123551842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).