2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene

C42H30S — CID 59196182

IUPAC2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
SMILESCc1ccc2c(-c3ccc4sc5ccccc5c4c3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C42H30S/c1-25-16-19-33-35(22-25)41(27-17-20-29-28-10-6-8-14-36(28)42(2,3)37(29)24-27)32-13-5-4-12-31(32)40(33)26-18-21-39-34(23-26)30-11-7-9-15-38(30)43-39/h4-24H,1-3H3
InChIKeyHQCAYXZQXMUWNB-UHFFFAOYSA-N
MW566.77 g/mol
LogP12.31
Rot. Bonds2

About 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene

2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene (PubChem CID 59196182) has the molecular formula C42H30S and a molecular weight of 566.77 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
PubChem CID59196182
Molecular FormulaC42H30S
Molecular Weight566.77 g/mol
Exact Mass566.21
IUPAC Name2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene
SMILESCc1ccc2c(-c3ccc4sc5ccccc5c4c3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C42H30S/c1-25-16-19-33-35(22-25)41(27-17-20-29-28-10-6-8-14-36(28)42(2,3)37(29)24-27)32-13-5-4-12-31(32)40(33)26-18-21-39-34(23-26)30-11-7-9-15-38(30)43-39/h4-24H,1-3H3
InChIKeyHQCAYXZQXMUWNB-UHFFFAOYSA-N
XLogP12.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.77
LogP ≤ 512.31
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

9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
2-[10-(10,10,12,12-tetramethylindeno[2,1-b]fluoren-7-yl)anthracen-9-yl]dibenzothiophene
CID 122426757
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-9-methylcarbazole
CID 59194893
3-(9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 134387503
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]dibenzothiophene
CID 59196128
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713
11-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 122426022
9-(9,9-dimethylfluoren-2-yl)-10-(2,4-dimethylphenyl)-2-naphthalen-2-ylanthracene
CID 59195935
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
9,9-dimethylfluorene;3,17,24-tris(9,9-dimethylfluoren-2-yl)-6,10-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2(11),3,5,7,9,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 145474396
2-[10-(11,11-dimethylbenzo[a]fluoren-9-yl)anthracen-9-yl]dibenzothiophene
CID 122425798

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene (CID 59196182) is 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene is Cc1ccc2c(-c3ccc4sc5ccccc5c4c3)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene?
The InChIKey is HQCAYXZQXMUWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30S/c1-25-16-19-33-35(22-25)41(27-17-20-29-28-10-6-8-14-36(28)42(2,3)37(29)24-27)32-13-5-4-12-31(32)40(33)26-18-21-39-34(23-26)30-11-7-9-15-38(30)43-39/h4-24H,1-3H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene?
2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene has a molecular weight of 566.77 g/mol, XLogP of 12.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 59196182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).