9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene

C46H38 — CID 58019447

IUPAC9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
SMILESCCc1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C46H38/c1-6-28-19-22-37-38(25-28)44(30-21-24-34-32-14-10-12-18-40(32)46(4,5)42(34)27-30)36-16-8-7-15-35(36)43(37)29-20-23-33-31-13-9-11-17-39(31)45(2,3)41(33)26-29/h7-27H,6H2,1-5H3
InChIKeyFUFDQSAVEQARIB-UHFFFAOYSA-N
MW590.81 g/mol
LogP12.50
Rot. Bonds3

About 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene

9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene (PubChem CID 58019447) has the molecular formula C46H38 and a molecular weight of 590.81 g/mol. Its IUPAC name is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene.

Molecular Properties

Compound Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
PubChem CID58019447
Molecular FormulaC46H38
Molecular Weight590.81 g/mol
Exact Mass590.30
IUPAC Name9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
SMILESCCc1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C46H38/c1-6-28-19-22-37-38(25-28)44(30-21-24-34-32-14-10-12-18-40(32)46(4,5)42(34)27-30)36-16-8-7-15-35(36)43(37)29-20-23-33-31-13-9-11-17-39(31)45(2,3)41(33)26-29/h7-27H,6H2,1-5H3
InChIKeyFUFDQSAVEQARIB-UHFFFAOYSA-N
XLogP12.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-(4-ethylphenyl)anthracen-9-yl]anthracene
CID 20821930
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
CID 20822097
9,10-bis(9,9-dimethylfluoren-2-yl)-2-pent-3-enylanthracene
CID 123930394
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
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
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
5-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-7,7-dimethylbenzo[c]fluorene
CID 91114293

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene?
The IUPAC name of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene (CID 58019447) is 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene.
What is the SMILES notation for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene?
The canonical SMILES for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene is CCc1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene?
The InChIKey is FUFDQSAVEQARIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38/c1-6-28-19-22-37-38(25-28)44(30-21-24-34-32-14-10-12-18-40(32)46(4,5)42(34)27-30)36-16-8-7-15-35(36)43(37)29-20-23-33-31-13-9-11-17-39(31)45(2,3)41(33)26-29/h7-27H,6H2,1-5H3.
What are the key properties of 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene?
9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene has a molecular weight of 590.81 g/mol, XLogP of 12.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene is sourced from PubChem (CID 58019447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).