10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene

C41H30O2 — CID 126728934

IUPAC10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(C4=CCCC=C4)c4ccccc34)cc2Oc2c1ccc1c2oc2ccccc21
InChIInChI=1S/C41H30O2/c1-41(2)33-22-20-26(24-36(33)43-40-34(41)23-21-32-27-14-10-11-19-35(27)42-39(32)40)38-30-17-8-6-15-28(30)37(25-12-4-3-5-13-25)29-16-7-9-18-31(29)38/h4,6-24H,3,5H2,1-2H3
InChIKeyLBOGPVLCFWTSME-UHFFFAOYSA-N
MW554.69 g/mol
LogP11.72
Rot. Bonds2

About 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene

10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene (PubChem CID 126728934) has the molecular formula C41H30O2 and a molecular weight of 554.69 g/mol. Its IUPAC name is 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene.

Molecular Properties

Compound Name10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene
PubChem CID126728934
Molecular FormulaC41H30O2
Molecular Weight554.69 g/mol
Exact Mass554.22
IUPAC Name10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene
SMILESCC1(C)c2ccc(-c3c4ccccc4c(C4=CCCC=C4)c4ccccc34)cc2Oc2c1ccc1c2oc2ccccc21
InChIInChI=1S/C41H30O2/c1-41(2)33-22-20-26(24-36(33)43-40-34(41)23-21-32-27-14-10-11-19-35(27)42-39(32)40)38-30-17-8-6-15-28(30)37(25-12-4-3-5-13-25)29-16-7-9-18-31(29)38/h4,6-24H,3,5H2,1-2H3
InChIKeyLBOGPVLCFWTSME-UHFFFAOYSA-N
XLogP11.72
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.69
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(7,7-dimethyl-[1]benzofuro[3,2-c]xanthen-10-yl)-2,6-diphenylpyrimidine
CID 126729223
4-(7,7-dimethylxantheno[5,6-b][1]benzofuran-9-yl)-2,6-diphenylpyrimidine
CID 126729058
5-cyclohexa-1,5-dien-1-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167252538
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177297955
7,7-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]fluoreno[4,3-b][1]benzofuran
CID 122415883
7-[10-(7,7-dimethylbenzo[c]fluoren-5-yl)anthracen-9-yl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 134487829
22,22-dimethyl-18-[4-(10-phenylanthracen-9-yl)phenyl]-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 130211875
2-(3-cyclohexa-1,5-dien-1-yl-10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 171420890
22,22-dimethyl-18-(10-phenylanthracen-9-yl)-3-oxahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaene
CID 163527881
2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
CID 145390974
6-(4-cyclohexa-1,5-dien-1-ylphenyl)-3,3,34,34-tetramethyl-31-(4-phenylphenyl)-14,29-dioxanonacyclo[18.14.0.02,17.04,16.07,15.08,13.021,33.022,30.023,28]tetratriaconta-1(20),2(17),4(16),5,7(15),8,10,12,18,21(33),22(30),23,25,27,31-pentadecaene
CID 142357666
N'-[(Z)-3-[4-(7,7-dimethyl-[1]benzofuro[3,2-c]xanthen-10-yl)phenyl]-1-phenylprop-1-enyl]-N-methylidenebenzenecarboximidamide
CID 126729284

Frequently Asked Questions

What is the IUPAC name of 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene?
The IUPAC name of 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene (CID 126728934) is 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene.
What is the SMILES notation for 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene?
The canonical SMILES for 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene is CC1(C)c2ccc(-c3c4ccccc4c(C4=CCCC=C4)c4ccccc34)cc2Oc2c1ccc1c2oc2ccccc21.
What is the InChIKey of 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene?
The InChIKey is LBOGPVLCFWTSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H30O2/c1-41(2)33-22-20-26(24-36(33)43-40-34(41)23-21-32-27-14-10-11-19-35(27)42-39(32)40)38-30-17-8-6-15-28(30)37(25-12-4-3-5-13-25)29-16-7-9-18-31(29)38/h4,6-24H,3,5H2,1-2H3.
What are the key properties of 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene?
10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene has a molecular weight of 554.69 g/mol, XLogP of 11.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(10-cyclohexa-1,5-dien-1-ylanthracen-9-yl)-7,7-dimethyl-[1]benzofuro[3,2-c]xanthene is sourced from PubChem (CID 126728934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).