2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane

C51H54 — CID 144659851

IUPAC2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane
SMILESCC.CC/C=c1/c2c(cc/c1=C/C=C(\C)c1ccc3c(c1)C(C)(C)C1=C3C=CCC1)C=CC(c1ccc3c(c1)C(C)(C)c1ccccc1-3)=CC2C
InChIInChI=1S/C49H48.C2H6/c1-8-13-38-33(19-18-31(2)35-24-26-41-39-14-9-11-16-43(39)48(4,5)45(41)29-35)20-21-34-22-23-36(28-32(3)47(34)38)37-25-27-42-40-15-10-12-17-44(40)49(6,7)46(42)30-37;1-2/h9-10,12-15,17-30,32H,8,11,16H2,1-7H3;1-2H3/b31-18+,33-19-,38-13+;
InChIKeyBSAPNXZVVOTYFP-YFQOPUFDSA-N
MW666.99 g/mol
LogP12.70
Rot. Bonds4

About 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane

2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane (PubChem CID 144659851) has the molecular formula C51H54 and a molecular weight of 666.99 g/mol. Its IUPAC name is 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane.

Molecular Properties

Compound Name2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane
PubChem CID144659851
Molecular FormulaC51H54
Molecular Weight666.99 g/mol
Exact Mass666.42
IUPAC Name2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane
SMILESCC.CC/C=c1/c2c(cc/c1=C/C=C(\C)c1ccc3c(c1)C(C)(C)C1=C3C=CCC1)C=CC(c1ccc3c(c1)C(C)(C)c1ccccc1-3)=CC2C
InChIInChI=1S/C49H48.C2H6/c1-8-13-38-33(19-18-31(2)35-24-26-41-39-14-9-11-16-43(39)48(4,5)45(41)29-35)20-21-34-22-23-36(28-32(3)47(34)38)37-25-27-42-40-15-10-12-17-44(40)49(6,7)46(42)30-37;1-2/h9-10,12-15,17-30,32H,8,11,16H2,1-7H3;1-2H3/b31-18+,33-19-,38-13+;
InChIKeyBSAPNXZVVOTYFP-YFQOPUFDSA-N
XLogP12.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.99
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane with MolForge

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Related Compounds

9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
2-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-N,6-N,6-N-tris(9,9-dimethylfluoren-2-yl)-9,10-bis(4-phenylphenyl)anthracene-2,6-diamine
CID 89189585
2-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-4-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 146359376
2-N,2-N,7-N-tris(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-7-N-(9,9-dimethylfluoren-2-yl)-9,10-dimethylanthracene-2,7-diamine
CID 89152690
2-butan-2-yl-9,9-dimethylfluorene;1-(2-cyclobutylcyclohexa-1,3-dien-1-yl)-2-methyl-3-(4-methylphenyl)benzene;1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene;propane
CID 143759679
8-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-3-N-(9,9-dimethylfluoren-2-yl)-3-N,8-N-diphenyl-5,6-dihydrobenzo[c]phenanthrene-3,8-diamine;ethane
CID 144726282
9-[4-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-3,4-dihydrophenanthrene
CID 143619795
N-[4-[17-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-3-yl)anilino)phenyl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl]phenyl]-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-9,9-dimethylfluoren-2-amine;(Z)-pent-2-ene
CID 143983726
N-[4-[5-[4-(N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)anilino)phenyl]-2,6-bis(4-fluorophenyl)pyrrolo[2,3-f]indol-1-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 88882512
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
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
N-[4-[4-[6-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 68546573

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane?
The IUPAC name of 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane (CID 144659851) is 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane.
What is the SMILES notation for 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane?
The canonical SMILES for 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane is CC.CC/C=c1/c2c(cc/c1=C/C=C(\C)c1ccc3c(c1)C(C)(C)C1=C3C=CCC1)C=CC(c1ccc3c(c1)C(C)(C)c1ccccc1-3)=CC2C.
What is the InChIKey of 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane?
The InChIKey is BSAPNXZVVOTYFP-YFQOPUFDSA-N. The full InChI is InChI=1S/C49H48.C2H6/c1-8-13-38-33(19-18-31(2)35-24-26-41-39-14-9-11-16-43(39)48(4,5)45(41)29-35)20-21-34-22-23-36(28-32(3)47(34)38)37-25-27-42-40-15-10-12-17-44(40)49(6,7)46(42)30-37;1-2/h9-10,12-15,17-30,32H,8,11,16H2,1-7H3;1-2H3/b31-18+,33-19-,38-13+;.
What are the key properties of 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane?
2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane has a molecular weight of 666.99 g/mol, XLogP of 12.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z,4E)-3-[(E)-3-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)but-2-enylidene]-5-methyl-4-propylidene-5H-benzo[7]annulen-7-yl]-9,9-dimethylfluorene;ethane is sourced from PubChem (CID 144659851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).