1,9,9-trimethyl-7-naphthalen-1-ylfluorene

C26H22 — CID 156896552

IUPAC1,9,9-trimethyl-7-naphthalen-1-ylfluorene
SMILESCc1cccc2c1C(C)(C)c1cc(-c3cccc4ccccc34)ccc1-2
InChIInChI=1S/C26H22/c1-17-8-6-13-23-22-15-14-19(16-24(22)26(2,3)25(17)23)21-12-7-10-18-9-4-5-11-20(18)21/h4-16H,1-3H3
InChIKeyUQGZQQDNWGXCBZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.12
Rot. Bonds1

About 1,9,9-trimethyl-7-naphthalen-1-ylfluorene

1,9,9-trimethyl-7-naphthalen-1-ylfluorene (PubChem CID 156896552) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,9,9-trimethyl-7-naphthalen-1-ylfluorene.

Molecular Properties

Compound Name1,9,9-trimethyl-7-naphthalen-1-ylfluorene
PubChem CID156896552
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1,9,9-trimethyl-7-naphthalen-1-ylfluorene
SMILESCc1cccc2c1C(C)(C)c1cc(-c3cccc4ccccc34)ccc1-2
InChIInChI=1S/C26H22/c1-17-8-6-13-23-22-15-14-19(16-24(22)26(2,3)25(17)23)21-12-7-10-18-9-4-5-11-20(18)21/h4-16H,1-3H3
InChIKeyUQGZQQDNWGXCBZ-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

9,9-dimethyl-2-(3-naphthalen-1-ylphenyl)-7-[4-[4-[4-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]fluorene
CID 58881002
2-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluorene
CID 123969680
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
11,11-dimethyl-9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]fluorene
CID 144583230
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
2-[9,9-dimethyl-7-(3-naphthalen-1-ylphenyl)fluoren-2-yl]-7-[9,9-dimethyl-7-[3-(2,4,6-trimethylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881037
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9,9,10,10-tetramethyl-2,6-dinaphthalen-1-ylanthracene
CID 59649099
2-(9,9-dimethylfluoren-2-yl)-7-[7-[9,9-dimethyl-7-(2-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58881021
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 168779418
21,21-dimethyl-18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 158807784
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433

Frequently Asked Questions

What is the IUPAC name of 1,9,9-trimethyl-7-naphthalen-1-ylfluorene?
The IUPAC name of 1,9,9-trimethyl-7-naphthalen-1-ylfluorene (CID 156896552) is 1,9,9-trimethyl-7-naphthalen-1-ylfluorene.
What is the SMILES notation for 1,9,9-trimethyl-7-naphthalen-1-ylfluorene?
The canonical SMILES for 1,9,9-trimethyl-7-naphthalen-1-ylfluorene is Cc1cccc2c1C(C)(C)c1cc(-c3cccc4ccccc34)ccc1-2.
What is the InChIKey of 1,9,9-trimethyl-7-naphthalen-1-ylfluorene?
The InChIKey is UQGZQQDNWGXCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-17-8-6-13-23-22-15-14-19(16-24(22)26(2,3)25(17)23)21-12-7-10-18-9-4-5-11-20(18)21/h4-16H,1-3H3.
What are the key properties of 1,9,9-trimethyl-7-naphthalen-1-ylfluorene?
1,9,9-trimethyl-7-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 1,9,9-trimethyl-7-naphthalen-1-ylfluorene is sourced from PubChem (CID 156896552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).