2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin

C37H26O2 — CID 134166054

IUPAC2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3ccccc3O4)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C37H26O2/c1-37(2)31-20-24(25-16-19-35-36(22-25)39-34-13-6-5-12-33(34)38-35)14-17-29(31)30-18-15-26(21-32(30)37)28-11-7-9-23-8-3-4-10-27(23)28/h3-22H,1-2H3
InChIKeyQTVMTVNZMYTSAN-UHFFFAOYSA-N
MW502.61 g/mol
LogP10.38
Rot. Bonds2

About 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin

2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin (PubChem CID 134166054) has the molecular formula C37H26O2 and a molecular weight of 502.61 g/mol. Its IUPAC name is 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin.

Molecular Properties

Compound Name2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin
PubChem CID134166054
Molecular FormulaC37H26O2
Molecular Weight502.61 g/mol
Exact Mass502.19
IUPAC Name2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin
SMILESCC1(C)c2cc(-c3ccc4c(c3)Oc3ccccc3O4)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C37H26O2/c1-37(2)31-20-24(25-16-19-35-36(22-25)39-34-13-6-5-12-33(34)38-35)14-17-29(31)30-18-15-26(21-32(30)37)28-11-7-9-23-8-3-4-10-27(23)28/h3-22H,1-2H3
InChIKeyQTVMTVNZMYTSAN-UHFFFAOYSA-N
XLogP10.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.61
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
N-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]-N-[4-(9,9-dimethylxanthen-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 90365703
2,7-bis[9,9-dimethyl-7-[3-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluorene
CID 58881057
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 171046100
9,9-dimethyl-2-naphthalen-2-yl-7-(3-naphthalen-1-ylphenyl)fluorene
CID 59217063
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
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
3-[4-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]fluoranthene
CID 58569433
9-[3-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)phenyl]phenanthrene
CID 58569211
2-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-(4-naphthalen-2-ylphenyl)phenyl]fluorene
CID 123907813
3-[4-[7-[9,9-dimethyl-7-[4-(4-naphthalen-1-ylphenyl)phenyl]fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]fluoranthene
CID 123377158

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin?
The IUPAC name of 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin (CID 134166054) is 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin.
What is the SMILES notation for 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin?
The canonical SMILES for 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin is CC1(C)c2cc(-c3ccc4c(c3)Oc3ccccc3O4)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin?
The InChIKey is QTVMTVNZMYTSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26O2/c1-37(2)31-20-24(25-16-19-35-36(22-25)39-34-13-6-5-12-33(34)38-35)14-17-29(31)30-18-15-26(21-32(30)37)28-11-7-9-23-8-3-4-10-27(23)28/h3-22H,1-2H3.
What are the key properties of 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin?
2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin has a molecular weight of 502.61 g/mol, XLogP of 10.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)dibenzo-p-dioxin is sourced from PubChem (CID 134166054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).