10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran

C43H30O — CID 144856909

IUPAC10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C43H30O/c1-43(2)37-26-30(23-24-35(37)42-41(43)36-21-10-11-22-38(36)44-42)40-33-19-8-6-17-31(33)39(32-18-7-9-20-34(32)40)29-16-12-15-28(25-29)27-13-4-3-5-14-27/h3-26H,1-2H3
InChIKeyQLWIKMZDYSNTOC-UHFFFAOYSA-N
MW562.71 g/mol
LogP12.05
Rot. Bonds3

About 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran

10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran (PubChem CID 144856909) has the molecular formula C43H30O and a molecular weight of 562.71 g/mol. Its IUPAC name is 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
PubChem CID144856909
Molecular FormulaC43H30O
Molecular Weight562.71 g/mol
Exact Mass562.23
IUPAC Name10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C43H30O/c1-43(2)37-26-30(23-24-35(37)42-41(43)36-21-10-11-22-38(36)44-42)40-33-19-8-6-17-31(33)39(32-18-7-9-20-34(32)40)29-16-12-15-28(25-29)27-13-4-3-5-14-27/h3-26H,1-2H3
InChIKeyQLWIKMZDYSNTOC-UHFFFAOYSA-N
XLogP12.05
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.71
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856891
10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856957
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174245071
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156549318
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 156549410
18,18,21,21-tetramethyl-15-(10-phenylanthracen-9-yl)-24-[4-(10-phenylanthracen-9-yl)phenyl]-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22(27),23,25-dodecaene
CID 139477794
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425
7-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 166590870
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)phenyl]-4-phenylaniline
CID 156549321
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The IUPAC name of 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran (CID 144856909) is 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran.
What is the SMILES notation for 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The canonical SMILES for 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran is CC1(C)c2cc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)ccc2-c2oc3ccccc3c21.
What is the InChIKey of 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The InChIKey is QLWIKMZDYSNTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30O/c1-43(2)37-26-30(23-24-35(37)42-41(43)36-21-10-11-22-38(36)44-42)40-33-19-8-6-17-31(33)39(32-18-7-9-20-34(32)40)29-16-12-15-28(25-29)27-13-4-3-5-14-27/h3-26H,1-2H3.
What are the key properties of 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran has a molecular weight of 562.71 g/mol, XLogP of 12.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-2-[10-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran is sourced from PubChem (CID 144856909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).