10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane

C30H30 — CID 144938959

IUPAC10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
SMILESCC.Cc1ccc(C2(c3ccc(C)cc3)C3=CCC=CC=C3c3ccccc32)cc1
InChIInChI=1S/C28H24.C2H6/c1-20-12-16-22(17-13-20)28(23-18-14-21(2)15-19-23)26-10-5-3-4-8-24(26)25-9-6-7-11-27(25)28;1-2/h3-4,6-19H,5H2,1-2H3;1-2H3
InChIKeyFKBAHGOHROUHBP-UHFFFAOYSA-N
MW390.57 g/mol
LogP7.95
Rot. Bonds2

About 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane

10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane (PubChem CID 144938959) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane.

Molecular Properties

Compound Name10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
PubChem CID144938959
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane
SMILESCC.Cc1ccc(C2(c3ccc(C)cc3)C3=CCC=CC=C3c3ccccc32)cc1
InChIInChI=1S/C28H24.C2H6/c1-20-12-16-22(17-13-20)28(23-18-14-21(2)15-19-23)26-10-5-3-4-8-24(26)25-9-6-7-11-27(25)28;1-2/h3-4,6-19H,5H2,1-2H3;1-2H3
InChIKeyFKBAHGOHROUHBP-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6-dimethylphenanthrene;10,10-diphenyl-8H-benzo[a]azulene;ethane;ethene
CID 142288669
spiro[8H-benzo[a]azulene-10,8'-tetracyclo[7.5.0.01,13.02,7]tetradeca-2,4,6,9,11-pentaene]
CID 142821202
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
(3'S)-3',4'-diphenylspiro[8H-benzo[a]azulene-10,1'-cyclopentane]
CID 143027770
6,6,12,12-tetrakis(4-methylphenyl)indeno[1,2-b]fluorene
CID 101421308
2,10-dimethyl-10-[5-methyl-2-(7-methylcyclohepta-1,3,6-trien-1-yl)phenyl]-8H-benzo[a]azulene;methane
CID 142961363
ethane;4-methyl-9,9-bis(4-methylphenyl)fluorene
CID 144938887
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohepta-1,4,6-trien-1-ylfluorene;ethane
CID 145317858
9-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-9-(4-methylphenyl)fluorene
CID 123478090
10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene
CID 142527160
9-cyclohepta-1,3,6-trien-1-yl-9-cyclohexa-1,5-dien-1-ylfluorene;ethane
CID 144721270
9,9-diphenyl-2H-fluoren-3-one
CID 123144463

Frequently Asked Questions

What is the IUPAC name of 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane?
The IUPAC name of 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane (CID 144938959) is 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane.
What is the SMILES notation for 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane?
The canonical SMILES for 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane is CC.Cc1ccc(C2(c3ccc(C)cc3)C3=CCC=CC=C3c3ccccc32)cc1.
What is the InChIKey of 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane?
The InChIKey is FKBAHGOHROUHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24.C2H6/c1-20-12-16-22(17-13-20)28(23-18-14-21(2)15-19-23)26-10-5-3-4-8-24(26)25-9-6-7-11-27(25)28;1-2/h3-4,6-19H,5H2,1-2H3;1-2H3.
What are the key properties of 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane?
10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane has a molecular weight of 390.57 g/mol, XLogP of 7.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-bis(4-methylphenyl)-8H-benzo[a]azulene;ethane is sourced from PubChem (CID 144938959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).