3,7,9-trimethylfluoranthene

C19H16 — CID 123365780

IUPAC3,7,9-trimethylfluoranthene
SMILESCc1cc(C)c2c(c1)-c1ccc(C)c3cccc-2c13
InChIInChI=1S/C19H16/c1-11-9-13(3)18-16-6-4-5-14-12(2)7-8-15(19(14)16)17(18)10-11/h4-10H,1-3H3
InChIKeyYOLBSPMIPDAGTQ-UHFFFAOYSA-N
MW244.34 g/mol
LogP5.41
Rot. Bonds

About 3,7,9-trimethylfluoranthene

3,7,9-trimethylfluoranthene (PubChem CID 123365780) has the molecular formula C19H16 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3,7,9-trimethylfluoranthene.

Molecular Properties

Compound Name3,7,9-trimethylfluoranthene
PubChem CID123365780
Molecular FormulaC19H16
Molecular Weight244.34 g/mol
Exact Mass244.13
IUPAC Name3,7,9-trimethylfluoranthene
SMILESCc1cc(C)c2c(c1)-c1ccc(C)c3cccc-2c13
InChIInChI=1S/C19H16/c1-11-9-13(3)18-16-6-4-5-14-12(2)7-8-15(19(14)16)17(18)10-11/h4-10H,1-3H3
InChIKeyYOLBSPMIPDAGTQ-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.34
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

15-methylpentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 140872789
15-methyl-4,7-diazapentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(19),2(11),3,5,7,9,12(20),13,15,17-decaene
CID 139667404
5-methylacenaphthylene-1,2-dione
CID 13004585
4-methylfluoranthene-8-carbaldehyde
CID 142154566
7,12-bis(4-fluorophenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142912
7,12-bis(2,5-dimethylphenyl)-3-phenylbenzo[k]fluoranthene
CID 123722611
9,20-bis(2,4,6-trimethylphenyl)octacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,9,11,13,15,17,19,21,23,25-tetradecaene
CID 71816692
4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(7,21-diphenyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)-7,16,18,21-tetramethylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;4-(4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14,16,18,20,22-dodecaenyl)-7,21-diphenylhexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene;7,16,18,21-tetramethyl-4-(7,16,18,21-tetramethyl-4-hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaenyl)hexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5(10),6,8,11,13(24),14,16,18,20,22-dodecaene
CID 159005457
7,12-bis(4-methoxyphenyl)-3,9-dimethylbenzo[k]fluoranthene
CID 71142914
1-aminoethenethiol;bis(3-methylfluoranthene);thiohydroxylamine
CID 143570068
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872

Frequently Asked Questions

What is the IUPAC name of 3,7,9-trimethylfluoranthene?
The IUPAC name of 3,7,9-trimethylfluoranthene (CID 123365780) is 3,7,9-trimethylfluoranthene.
What is the SMILES notation for 3,7,9-trimethylfluoranthene?
The canonical SMILES for 3,7,9-trimethylfluoranthene is Cc1cc(C)c2c(c1)-c1ccc(C)c3cccc-2c13.
What is the InChIKey of 3,7,9-trimethylfluoranthene?
The InChIKey is YOLBSPMIPDAGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16/c1-11-9-13(3)18-16-6-4-5-14-12(2)7-8-15(19(14)16)17(18)10-11/h4-10H,1-3H3.
What are the key properties of 3,7,9-trimethylfluoranthene?
3,7,9-trimethylfluoranthene has a molecular weight of 244.34 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9-trimethylfluoranthene is sourced from PubChem (CID 123365780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).