ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene

C61H62 — CID 156827092

IUPACethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene
SMILESC=CC1=C(/C=C\C)c2c(Cc3ccccc3C3=CC4=C(CC3)C(C)(C)c3ccccc34)cccc2C1(C)C.CC.Cc1ccc(-c2ccc3c(c2)-c2ccccc2C3C)cc1
InChIInChI=1S/C38H38.C21H18.C2H6/c1-7-14-30-32(8-2)37(3,4)35-20-13-16-27(36(30)35)23-25-15-9-10-17-28(25)26-21-22-34-31(24-26)29-18-11-12-19-33(29)38(34,5)6;1-14-7-9-16(10-8-14)17-11-12-19-15(2)18-5-3-4-6-20(18)21(19)13-17;1-2/h7-20,24H,2,21-23H2,1,3-6H3;3-13,15H,1-2H3;1-2H3/b14-7-;;
InChIKeyNKRGZWSEQBXABE-DMALGBCRSA-N
MW795.17 g/mol
LogP16.83
Rot. Bonds6

About ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene

ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene (PubChem CID 156827092) has the molecular formula C61H62 and a molecular weight of 795.17 g/mol. Its IUPAC name is ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene.

Molecular Properties

Compound Nameethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene
PubChem CID156827092
Molecular FormulaC61H62
Molecular Weight795.17 g/mol
Exact Mass794.49
IUPAC Nameethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene
SMILESC=CC1=C(/C=C\C)c2c(Cc3ccccc3C3=CC4=C(CC3)C(C)(C)c3ccccc34)cccc2C1(C)C.CC.Cc1ccc(-c2ccc3c(c2)-c2ccccc2C3C)cc1
InChIInChI=1S/C38H38.C21H18.C2H6/c1-7-14-30-32(8-2)37(3,4)35-20-13-16-27(36(30)35)23-25-15-9-10-17-28(25)26-21-22-34-31(24-26)29-18-11-12-19-33(29)38(34,5)6;1-14-7-9-16(10-8-14)17-11-12-19-15(2)18-5-3-4-6-20(18)21(19)13-17;1-2/h7-20,24H,2,21-23H2,1,3-6H3;3-13,15H,1-2H3;1-2H3/b14-7-;;
InChIKeyNKRGZWSEQBXABE-DMALGBCRSA-N
XLogP16.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.17
LogP ≤ 516.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene with MolForge

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Related Compounds

5-ethenyl-6,6,14-trimethyl-11-(10-phenylanthracen-9-yl)-4-prop-1-enylpentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),4,8,11,15,17,19-nonaene
CID 91149785
2-[3-[3-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]phenyl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 145110857
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
(9S)-N-[4-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-1-(2-methylphenyl)-N-[4-[3-[(Z)-pent-1-enyl]-1H-inden-5-yl]phenyl]-9-propyl-9H-fluoren-4-amine
CID 145355144
7-(4-tert-butylphenyl)-9,9-dimethyl-3-(2-methylphenyl)-1,2-dihydrofluorene
CID 156827419
9-cyclohexa-1,3-dien-1-yl-9-phenyl-3-[3-(2-propylphenyl)phenyl]-1,2-dihydrofluorene;9-methyl-6-(4-methylphenyl)-2,9-dihydro-1H-fluorene;4,9,9-trimethylfluorene
CID 156827380
7-(4-tert-butylphenyl)-9,9-dimethyl-3-(2-methylphenyl)-1,2-dihydrofluorene;1-(2-ethylphenyl)-2-methyl-3-(4-propylphenyl)benzene;propane;4,9,9-trimethylfluorene
CID 156827417
9,9-dimethyl-3-[3-[4-(4-methylphenyl)phenyl]phenyl]fluorene
CID 156827523
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
23-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-5-yl]-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
CID 137380846
4'-[4-(4-tert-butylphenyl)-2-methylphenyl]-2'-ethenyl-5'-methyl-1'-[(Z)-prop-1-enyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
CID 145204013

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene?
The IUPAC name of ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene (CID 156827092) is ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene.
What is the SMILES notation for ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene?
The canonical SMILES for ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene is C=CC1=C(/C=C\C)c2c(Cc3ccccc3C3=CC4=C(CC3)C(C)(C)c3ccccc34)cccc2C1(C)C.CC.Cc1ccc(-c2ccc3c(c2)-c2ccccc2C3C)cc1.
What is the InChIKey of ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene?
The InChIKey is NKRGZWSEQBXABE-DMALGBCRSA-N. The full InChI is InChI=1S/C38H38.C21H18.C2H6/c1-7-14-30-32(8-2)37(3,4)35-20-13-16-27(36(30)35)23-25-15-9-10-17-28(25)26-21-22-34-31(24-26)29-18-11-12-19-33(29)38(34,5)6;1-14-7-9-16(10-8-14)17-11-12-19-15(2)18-5-3-4-6-20(18)21(19)13-17;1-2/h7-20,24H,2,21-23H2,1,3-6H3;3-13,15H,1-2H3;1-2H3/b14-7-;;.
What are the key properties of ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene?
ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene has a molecular weight of 795.17 g/mol, XLogP of 16.83, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-[[2-ethenyl-1,1-dimethyl-3-[(Z)-prop-1-enyl]inden-4-yl]methyl]phenyl]-9,9-dimethyl-1,2-dihydrofluorene;9-methyl-3-(4-methylphenyl)-9H-fluorene is sourced from PubChem (CID 156827092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).