2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene

C30H28 — CID 59027683

IUPAC2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
SMILESC=C/C=C1\C(=C)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C
InChIInChI=1S/C30H28/c1-7-10-25-19(2)22-15-13-20(17-27(22)29(25,3)4)21-14-16-24-23-11-8-9-12-26(23)30(5,6)28(24)18-21/h7-18H,1-2H2,3-6H3/b25-10+
InChIKeyMLGNVFWHPXPTFD-KIBLKLHPSA-N
MW388.55 g/mol
LogP8.08
Rot. Bonds2

About 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene

2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene (PubChem CID 59027683) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
PubChem CID59027683
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene
SMILESC=C/C=C1\C(=C)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C
InChIInChI=1S/C30H28/c1-7-10-25-19(2)22-15-13-20(17-27(22)29(25,3)4)21-14-16-24-23-11-8-9-12-26(23)30(5,6)28(24)18-21/h7-18H,1-2H2,3-6H3/b25-10+
InChIKeyMLGNVFWHPXPTFD-KIBLKLHPSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-methylidenethioxanthene
CID 166805524
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-9,9-dimethylfluorene
CID 59133432
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
6,6,12,12-tetramethyl-2-(4-methylphenyl)indeno[1,2-b]fluorene
CID 144585061
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
CID 143619792
CID 143619792
9,9-dimethyl-2-[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217045
2-(9,9-dimethylfluoren-2-yl)-6-[7-[7-[6-(9,9-dimethylfluoren-2-yl)-2-pyridinyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]pyridine
CID 58881225

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene?
The IUPAC name of 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene (CID 59027683) is 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene.
What is the SMILES notation for 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene?
The canonical SMILES for 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene is C=C/C=C1\C(=C)c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2C1(C)C.
What is the InChIKey of 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene?
The InChIKey is MLGNVFWHPXPTFD-KIBLKLHPSA-N. The full InChI is InChI=1S/C30H28/c1-7-10-25-19(2)22-15-13-20(17-27(22)29(25,3)4)21-14-16-24-23-11-8-9-12-26(23)30(5,6)28(24)18-21/h7-18H,1-2H2,3-6H3/b25-10+.
What are the key properties of 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene?
2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene has a molecular weight of 388.55 g/mol, XLogP of 8.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-3,3-dimethyl-1-methylidene-2-prop-2-enylideneinden-5-yl]-9,9-dimethylfluorene is sourced from PubChem (CID 59027683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).