9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene

C26H22 — CID 156896767

IUPAC9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
SMILESCc1ccc2ccccc2c1-c1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C26H22/c1-17-12-13-18-8-4-5-9-20(18)25(17)19-14-15-24-22(16-19)21-10-6-7-11-23(21)26(24,2)3/h4-16H,1-3H3
InChIKeyQYNUEVPZYIHXIN-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.12
Rot. Bonds1

About 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene

9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene (PubChem CID 156896767) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene.

Molecular Properties

Compound Name9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
PubChem CID156896767
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
SMILESCc1ccc2ccccc2c1-c1ccc2c(c1)-c1ccccc1C2(C)C
InChIInChI=1S/C26H22/c1-17-12-13-18-8-4-5-9-20(18)25(17)19-14-15-24-22(16-19)21-10-6-7-11-23(21)26(24,2)3/h4-16H,1-3H3
InChIKeyQYNUEVPZYIHXIN-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(9,9-dimethylfluoren-3-yl)benzo[c]phenanthrene
CID 140710652
10,10-dimethyl-6-(10-phenylanthracen-9-yl)pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene;10,10,12,12-tetramethyl-7-(10-phenylanthracen-9-yl)indeno[2,1-b]fluorene
CID 162244977
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 58151561
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
8-(9,9-dimethylfluoren-3-yl)-5-naphthalen-1-ylbenzo[c]phenanthrene
CID 59282369
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
3,9,9-trimethyl-4-naphthalen-1-ylfluorene
CID 156896796
9-(9,9-dimethylfluoren-3-yl)-10-(3,4-dimethylphenyl)-2-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-3-yl)-10-(4-methylphenyl)-2-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3,4,5-trimethylphenyl)anthracene
CID 160502129
3-[10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]benzo[g][1]benzofuran
CID 174307214
8-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-11,11-dimethylbenzo[a]fluorene
CID 140724296
14-(9,9-dimethylfluoren-2-yl)-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 123741068

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene?
The IUPAC name of 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene (CID 156896767) is 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene.
What is the SMILES notation for 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene?
The canonical SMILES for 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene is Cc1ccc2ccccc2c1-c1ccc2c(c1)-c1ccccc1C2(C)C.
What is the InChIKey of 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene?
The InChIKey is QYNUEVPZYIHXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-17-12-13-18-8-4-5-9-20(18)25(17)19-14-15-24-22(16-19)21-10-6-7-11-23(21)26(24,2)3/h4-16H,1-3H3.
What are the key properties of 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene?
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene has a molecular weight of 334.46 g/mol, XLogP of 7.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene is sourced from PubChem (CID 156896767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).