10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran

C43H30O — CID 144856957

IUPAC10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2oc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)ccc3c21
InChIInChI=1S/C43H30O/c1-43(2)37-19-11-10-18-35(37)42-41(43)36-25-24-30(26-38(36)44-42)40-33-16-8-6-14-31(33)39(32-15-7-9-17-34(32)40)29-22-20-28(21-23-29)27-12-4-3-5-13-27/h3-26H,1-2H3
InChIKeyXOMQDWXKARQIOZ-UHFFFAOYSA-N
MW562.71 g/mol
LogP12.05
Rot. Bonds3

About 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran

10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran (PubChem CID 144856957) has the molecular formula C43H30O and a molecular weight of 562.71 g/mol. Its IUPAC name is 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
PubChem CID144856957
Molecular FormulaC43H30O
Molecular Weight562.71 g/mol
Exact Mass562.23
IUPAC Name10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2ccccc2-c2oc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)ccc3c21
InChIInChI=1S/C43H30O/c1-43(2)37-19-11-10-18-35(37)42-41(43)36-25-24-30(26-38(36)44-42)40-33-16-8-6-14-31(33)39(32-15-7-9-17-34(32)40)29-22-20-28(21-23-29)27-12-4-3-5-13-27/h3-26H,1-2H3
InChIKeyXOMQDWXKARQIOZ-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-(3-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856909
10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856891
21,21-dimethyl-5-[4-(10-phenylanthracen-9-yl)phenyl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 157131299
10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856949
21,21-dimethyl-17-[10-(4-phenylphenyl)anthracen-9-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 140724573
3-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]dibenzofuran
CID 122426638
7-(9,9-dimethylfluoren-3-yl)-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249943
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-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
2-(10-dibenzofuran-2-yl-2-phenylanthracen-9-yl)-11,11-dimethylfluoreno[3,2-b][1]benzofuran
CID 163945775
3,3-dimethyl-12-[10-(4-phenylphenyl)anthracen-9-yl]-14-oxahexacyclo[11.11.0.02,10.04,9.015,24.017,22]tetracosa-1,4,6,8,10,12,15,17,19,21,23-undecaene
CID 130189362

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The IUPAC name of 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran (CID 144856957) is 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran.
What is the SMILES notation for 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The canonical SMILES for 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran is CC1(C)c2ccccc2-c2oc3cc(-c4c5ccccc5c(-c5ccc(-c6ccccc6)cc5)c5ccccc45)ccc3c21.
What is the InChIKey of 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The InChIKey is XOMQDWXKARQIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30O/c1-43(2)37-19-11-10-18-35(37)42-41(43)36-25-24-30(26-38(36)44-42)40-33-16-8-6-14-31(33)39(32-15-7-9-17-34(32)40)29-22-20-28(21-23-29)27-12-4-3-5-13-27/h3-26H,1-2H3.
What are the key properties of 10,10-dimethyl-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran?
10,10-dimethyl-7-[10-(4-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-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran is sourced from PubChem (CID 144856957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).