cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene

C52H62 — CID 162686763

IUPACcyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene
SMILESC1=CCCC=C1.CC.Cc1ccc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)C1=C2C(C)CCC1
InChIInChI=1S/C19H16.C17H22.C8H10.C6H8.C2H6/c1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-11-8-9-13-15(10-11)17(3,4)14-7-5-6-12(2)16(13)14;1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;1-2/h2-14H,1H3;8-10,12H,5-7H2,1-4H3;3-6H,1-2H3;1-4H,5-6H2;1-2H3
InChIKeyVDNQKVSXVJLDNV-UHFFFAOYSA-N
MW687.07 g/mol
LogP15.41
Rot. Bonds2

About cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene

cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene (PubChem CID 162686763) has the molecular formula C52H62 and a molecular weight of 687.07 g/mol. Its IUPAC name is cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene.

Molecular Properties

Compound Namecyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene
PubChem CID162686763
Molecular FormulaC52H62
Molecular Weight687.07 g/mol
Exact Mass686.49
IUPAC Namecyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene
SMILESC1=CCCC=C1.CC.Cc1ccc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)C1=C2C(C)CCC1
InChIInChI=1S/C19H16.C17H22.C8H10.C6H8.C2H6/c1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-11-8-9-13-15(10-11)17(3,4)14-7-5-6-12(2)16(13)14;1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;1-2/h2-14H,1H3;8-10,12H,5-7H2,1-4H3;3-6H,1-2H3;1-4H,5-6H2;1-2H3
InChIKeyVDNQKVSXVJLDNV-UHFFFAOYSA-N
XLogP15.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.07
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene?
The IUPAC name of cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene (CID 162686763) is cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene.
What is the SMILES notation for cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene?
The canonical SMILES for cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene is C1=CCCC=C1.CC.Cc1ccc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc(C)cc1.Cc1ccc2c(c1)C(C)(C)C1=C2C(C)CCC1.
What is the InChIKey of cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene?
The InChIKey is VDNQKVSXVJLDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16.C17H22.C8H10.C6H8.C2H6/c1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-11-8-9-13-15(10-11)17(3,4)14-7-5-6-12(2)16(13)14;1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;1-2/h2-14H,1H3;8-10,12H,5-7H2,1-4H3;3-6H,1-2H3;1-4H,5-6H2;1-2H3.
What are the key properties of cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene?
cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene has a molecular weight of 687.07 g/mol, XLogP of 15.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-diene;ethane;1-methyl-2,4-diphenylbenzene;4,7,9,9-tetramethyl-1,2,3,4-tetrahydrofluorene;1,4-xylene is sourced from PubChem (CID 162686763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).