3,9,9-trimethyl-4-naphthalen-1-ylfluorene

C26H22 — CID 156896796

IUPAC3,9,9-trimethyl-4-naphthalen-1-ylfluorene
SMILESCc1ccc2c(c1-c1cccc3ccccc13)-c1ccccc1C2(C)C
InChIInChI=1S/C26H22/c1-17-15-16-23-25(21-12-6-7-14-22(21)26(23,2)3)24(17)20-13-8-10-18-9-4-5-11-19(18)20/h4-16H,1-3H3
InChIKeyVQHZSURSWOCFAL-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.12
Rot. Bonds1

About 3,9,9-trimethyl-4-naphthalen-1-ylfluorene

3,9,9-trimethyl-4-naphthalen-1-ylfluorene (PubChem CID 156896796) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 3,9,9-trimethyl-4-naphthalen-1-ylfluorene.

Molecular Properties

Compound Name3,9,9-trimethyl-4-naphthalen-1-ylfluorene
PubChem CID156896796
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name3,9,9-trimethyl-4-naphthalen-1-ylfluorene
SMILESCc1ccc2c(c1-c1cccc3ccccc13)-c1ccccc1C2(C)C
InChIInChI=1S/C26H22/c1-17-15-16-23-25(21-12-6-7-14-22(21)26(23,2)3)24(17)20-13-8-10-18-9-4-5-11-19(18)20/h4-16H,1-3H3
InChIKeyVQHZSURSWOCFAL-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

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Related Compounds

7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
ethane;4,9,9-trimethylfluorene
CID 123917181
9,9-dimethyl-3-(2-methylnaphthalen-1-yl)fluorene
CID 156896767
9,9,21,21-tetramethyl-6-naphthalen-1-ylhexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 171743014
8,8-dimethyl-5-naphthalen-1-yl-13-(4-phenylphenyl)indeno[1,2-a]anthracene
CID 140792227
4-[9,9-dimethyl-7-(10-naphthalen-1-ylanthracen-9-yl)fluoren-2-yl]-7,7-dimethylbenzo[c]fluorene
CID 159232925
4-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluorene
CID 166563569
2-(14,14-dimethyl-9-methylidene-7-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaenyl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine
CID 134218057
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
9-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethyl-15-naphthalen-1-ylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 58479641
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308

Frequently Asked Questions

What is the IUPAC name of 3,9,9-trimethyl-4-naphthalen-1-ylfluorene?
The IUPAC name of 3,9,9-trimethyl-4-naphthalen-1-ylfluorene (CID 156896796) is 3,9,9-trimethyl-4-naphthalen-1-ylfluorene.
What is the SMILES notation for 3,9,9-trimethyl-4-naphthalen-1-ylfluorene?
The canonical SMILES for 3,9,9-trimethyl-4-naphthalen-1-ylfluorene is Cc1ccc2c(c1-c1cccc3ccccc13)-c1ccccc1C2(C)C.
What is the InChIKey of 3,9,9-trimethyl-4-naphthalen-1-ylfluorene?
The InChIKey is VQHZSURSWOCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-17-15-16-23-25(21-12-6-7-14-22(21)26(23,2)3)24(17)20-13-8-10-18-9-4-5-11-19(18)20/h4-16H,1-3H3.
What are the key properties of 3,9,9-trimethyl-4-naphthalen-1-ylfluorene?
3,9,9-trimethyl-4-naphthalen-1-ylfluorene 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 3,9,9-trimethyl-4-naphthalen-1-ylfluorene is sourced from PubChem (CID 156896796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).