2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene

C59H48 — CID 91336335

IUPAC2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene
SMILESCC1(C)C2=CC(c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)CC=C2c2ccccc21
InChIInChI=1S/C59H48/c1-57(2)49-20-12-9-15-39(49)42-27-23-36(32-52(42)57)35-24-30-47-48(31-35)56(38-26-29-44-41-17-11-14-22-51(41)59(5,6)54(44)34-38)46-19-8-7-18-45(46)55(47)37-25-28-43-40-16-10-13-21-50(40)58(3,4)53(43)33-37/h7-22,24-34,36H,23H2,1-6H3
InChIKeyMBBNWIOOPZDTJO-UHFFFAOYSA-N
MW757.03 g/mol
LogP15.73
Rot. Bonds3

About 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene

2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene (PubChem CID 91336335) has the molecular formula C59H48 and a molecular weight of 757.03 g/mol. Its IUPAC name is 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene.

Molecular Properties

Compound Name2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene
PubChem CID91336335
Molecular FormulaC59H48
Molecular Weight757.03 g/mol
Exact Mass756.38
IUPAC Name2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene
SMILESCC1(C)C2=CC(c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)CC=C2c2ccccc21
InChIInChI=1S/C59H48/c1-57(2)49-20-12-9-15-39(49)42-27-23-36(32-52(42)57)35-24-30-47-48(31-35)56(38-26-29-44-41-17-11-14-22-51(41)59(5,6)54(44)34-38)46-19-8-7-18-45(46)55(47)37-25-28-43-40-16-10-13-21-50(40)58(3,4)53(43)33-37/h7-22,24-34,36H,23H2,1-6H3
InChIKeyMBBNWIOOPZDTJO-UHFFFAOYSA-N
XLogP15.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.03
LogP ≤ 515.73
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

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-(10-naphthalen-2-ylanthracen-9-yl)anthracene
CID 20822332
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-naphthalen-2-ylanthracene
CID 20822253
9-(9,9-dimethylfluoren-2-yl)-10-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-methylanthracene
CID 59195744
9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6,7-dihydroanthracen-2-yl]-9,9'-spirobi[fluorene]
CID 143809004
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-[9,9-dimethyl-7-(10-naphthalen-2-ylanthracen-9-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]anthracen-9-yl]anthracene
CID 20822351

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene?
The IUPAC name of 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene (CID 91336335) is 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene.
What is the SMILES notation for 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene?
The canonical SMILES for 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene is CC1(C)C2=CC(c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5ccccc5c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c4c3)CC=C2c2ccccc21.
What is the InChIKey of 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene?
The InChIKey is MBBNWIOOPZDTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H48/c1-57(2)49-20-12-9-15-39(49)42-27-23-36(32-52(42)57)35-24-30-47-48(31-35)56(38-26-29-44-41-17-11-14-22-51(41)59(5,6)54(44)34-38)46-19-8-7-18-45(46)55(47)37-25-28-43-40-16-10-13-21-50(40)58(3,4)53(43)33-37/h7-22,24-34,36H,23H2,1-6H3.
What are the key properties of 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene?
2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene has a molecular weight of 757.03 g/mol, XLogP of 15.73, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-2,3-dihydrofluoren-2-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)anthracene is sourced from PubChem (CID 91336335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).