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

C49H34O — CID 144856891

IUPAC10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc34)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C49H34O/c1-49(2)43-30-32(28-29-41(43)48-47(49)42-26-14-15-27-44(42)50-48)45-37-22-10-12-24-39(37)46(40-25-13-11-23-38(40)45)36-21-9-8-20-35(36)34-19-7-6-18-33(34)31-16-4-3-5-17-31/h3-30H,1-2H3
InChIKeyPXAKJHHKHDYFNG-UHFFFAOYSA-N
MW638.81 g/mol
LogP13.71
Rot. Bonds4

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

10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran (PubChem CID 144856891) has the molecular formula C49H34O and a molecular weight of 638.81 g/mol. Its IUPAC name is 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran.

Molecular Properties

Compound Name10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
PubChem CID144856891
Molecular FormulaC49H34O
Molecular Weight638.81 g/mol
Exact Mass638.26
IUPAC Name10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran
SMILESCC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc34)ccc2-c2oc3ccccc3c21
InChIInChI=1S/C49H34O/c1-49(2)43-30-32(28-29-41(43)48-47(49)42-26-14-15-27-44(42)50-48)45-37-22-10-12-24-39(37)46(40-25-13-11-23-38(40)45)36-21-9-8-20-35(36)34-19-7-6-18-33(34)31-16-4-3-5-17-31/h3-30H,1-2H3
InChIKeyPXAKJHHKHDYFNG-UHFFFAOYSA-N
XLogP13.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 513.71
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-7-[10-(4-phenylphenyl)anthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856957
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
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
2-[10-(10,10-diphenylindeno[1,2-b][1]benzofuran-2-yl)-2-methylanthracen-9-yl]-10,10-diphenylindeno[1,2-b][1]benzofuran
CID 144856928
N-(4-dibenzofuran-2-ylphenyl)-3-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 156549410
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
2-[2-[10-(21,21-dimethyl-17-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 121421422
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
N-[4-(10,10-dimethylindeno[1,2-b][1]benzofuran-4-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 156550278
7,7-dimethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]fluoreno[2,3-b][1]benzofuran
CID 130189425

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The IUPAC name of 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran (CID 144856891) is 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran.
What is the SMILES notation for 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The canonical SMILES for 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran is CC1(C)c2cc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc34)ccc2-c2oc3ccccc3c21.
What is the InChIKey of 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran?
The InChIKey is PXAKJHHKHDYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34O/c1-49(2)43-30-32(28-29-41(43)48-47(49)42-26-14-15-27-44(42)50-48)45-37-22-10-12-24-39(37)46(40-25-13-11-23-38(40)45)36-21-9-8-20-35(36)34-19-7-6-18-33(34)31-16-4-3-5-17-31/h3-30H,1-2H3.
What are the key properties of 10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran?
10,10-dimethyl-2-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran has a molecular weight of 638.81 g/mol, XLogP of 13.71, 4 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-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]indeno[1,2-b][1]benzofuran is sourced from PubChem (CID 144856891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).