1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran

C42H30O — CID 158936600

IUPAC1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran
SMILESCc1cc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc23)c2c(c1)oc1ccccc12
InChIInChI=1S/C42H30O/c1-25-22-34(41-33-17-9-11-19-37(33)43-38(41)23-25)40-31-15-6-4-13-29(31)39(30-14-5-7-16-32(30)40)26-20-21-28-27-12-8-10-18-35(27)42(2,3)36(28)24-26/h4-24H,1-3H3
InChIKeyYMAXKDIQZSVJOT-UHFFFAOYSA-N
MW550.70 g/mol
LogP11.84
Rot. Bonds2

About 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran

1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran (PubChem CID 158936600) has the molecular formula C42H30O and a molecular weight of 550.70 g/mol. Its IUPAC name is 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran.

Molecular Properties

Compound Name1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran
PubChem CID158936600
Molecular FormulaC42H30O
Molecular Weight550.70 g/mol
Exact Mass550.23
IUPAC Name1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran
SMILESCc1cc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc23)c2c(c1)oc1ccccc12
InChIInChI=1S/C42H30O/c1-25-22-34(41-33-17-9-11-19-37(33)43-38(41)23-25)40-31-15-6-4-13-29(31)39(30-14-5-7-16-32(30)40)26-20-21-28-27-12-8-10-18-35(27)42(2,3)36(28)24-26/h4-24H,1-3H3
InChIKeyYMAXKDIQZSVJOT-UHFFFAOYSA-N
XLogP11.84
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 511.84
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

1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-(3-methylphenyl)dibenzofuran
CID 159095714
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
1-[10-(9,9-dimethylfluoren-2-yl)-1,2,3,4,5,6,7,8-octamethylanthracen-9-yl]dibenzofuran
CID 167347240
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 134487897
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 130213656
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
1-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]dibenzofuran
CID 59196193
1-[10-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]anthracen-9-yl]dibenzofuran
CID 129174040
4-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 122415644
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
CID 177265135
6-[10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracen-9-yl]-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5,7,9,11,13-heptaene
CID 162712084

Frequently Asked Questions

What is the IUPAC name of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran?
The IUPAC name of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran (CID 158936600) is 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran.
What is the SMILES notation for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran?
The canonical SMILES for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran is Cc1cc(-c2c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc23)c2c(c1)oc1ccccc12.
What is the InChIKey of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran?
The InChIKey is YMAXKDIQZSVJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O/c1-25-22-34(41-33-17-9-11-19-37(33)43-38(41)23-25)40-31-15-6-4-13-29(31)39(30-14-5-7-16-32(30)40)26-20-21-28-27-12-8-10-18-35(27)42(2,3)36(28)24-26/h4-24H,1-3H3.
What are the key properties of 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran?
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran has a molecular weight of 550.70 g/mol, XLogP of 11.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-3-methyldibenzofuran is sourced from PubChem (CID 158936600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).