5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene

C36H28 — CID 134842596

IUPAC5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
SMILESCc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1C
InChIInChI=1S/C36H28/c1-25-23-24-31-32(26(25)2)34(28-17-9-4-10-18-28)36(30-21-13-6-14-22-30)35(29-19-11-5-12-20-29)33(31)27-15-7-3-8-16-27/h3-24H,1-2H3
InChIKeyAOVIEIMPVBQHBS-UHFFFAOYSA-N
MW460.62 g/mol
LogP10.12
Rot. Bonds4

About 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene

5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene (PubChem CID 134842596) has the molecular formula C36H28 and a molecular weight of 460.62 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene.

Molecular Properties

Compound Name5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
PubChem CID134842596
Molecular FormulaC36H28
Molecular Weight460.62 g/mol
Exact Mass460.22
IUPAC Name5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene
SMILESCc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1C
InChIInChI=1S/C36H28/c1-25-23-24-31-32(26(25)2)34(28-17-9-4-10-18-28)36(30-21-13-6-14-22-30)35(29-19-11-5-12-20-29)33(31)27-15-7-3-8-16-27/h3-24H,1-2H3
InChIKeyAOVIEIMPVBQHBS-UHFFFAOYSA-N
XLogP10.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-1-phenyltriphenylene
CID 175828145
1,2-dimethyltriphenylene;ethane
CID 145144770
2,8-dimethyl-1-phenylpyrene
CID 175605682
3,4-dimethyl-2-phenylbenzenethiol
CID 20871539
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
8-methyl-7,12-diphenylbenzo[k]fluoranthene
CID 154225816
1,2,3,4-tetrafluoro-5,6,7,8-tetraphenylnaphthalene
CID 24827241
1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene
CID 141298222
5-methyl-12,13,14,16,21,23-hexakis-phenyloctacyclo[13.12.1.12,6.118,22.011,28.017,27.010,30.026,29]triaconta-1(27),2(30),3,5,7,9,11(28),12,14,16,18,20,22,24,26(29)-pentadecaene
CID 59080769
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
4-(4-methylphenyl)-3,5,6-triphenylhexacyclo[10.10.2.02,7.08,24.013,18.019,23]tetracosa-1(22),2(7),3,5,8,10,12(24),13,15,17,19(23),20-dodecaene
CID 123196771
9,10-diphenylanthracene;ethane;9-methyl-10-phenylanthracene
CID 143856164

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene?
The IUPAC name of 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene (CID 134842596) is 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene.
What is the SMILES notation for 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene?
The canonical SMILES for 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene is Cc1ccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2c1C.
What is the InChIKey of 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene?
The InChIKey is AOVIEIMPVBQHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28/c1-25-23-24-31-32(26(25)2)34(28-17-9-4-10-18-28)36(30-21-13-6-14-22-30)35(29-19-11-5-12-20-29)33(31)27-15-7-3-8-16-27/h3-24H,1-2H3.
What are the key properties of 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene?
5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene has a molecular weight of 460.62 g/mol, XLogP of 10.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,3,4-tetraphenylnaphthalene is sourced from PubChem (CID 134842596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).