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

C77H72 — CID 156827380

IUPAC9-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
SMILESCCCc1ccccc1-c1cccc(C2=CC3=C(CC2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc23)c1.Cc1ccc(-c2ccc3c(c2)C2=C(CCC=C2)C3C)cc1.Cc1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C40H36.C21H20.C16H16/c1-2-14-29-15-9-10-22-35(29)32-17-13-16-30(27-32)31-25-26-39-37(28-31)36-23-11-12-24-38(36)40(39,33-18-5-3-6-19-33)34-20-7-4-8-21-34;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;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3/h3-7,9-13,15-20,22-24,27-28H,2,8,14,21,25-26H2,1H3;4,6-13,15H,3,5H2,1-2H3;4-10H,1-3H3
InChIKeyGSBCSPACBPOXLS-UHFFFAOYSA-N
MW997.42 g/mol
LogP20.70
Rot. Bonds7

About 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

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 (PubChem CID 156827380) has the molecular formula C77H72 and a molecular weight of 997.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID156827380
Molecular FormulaC77H72
Molecular Weight997.42 g/mol
Exact Mass996.56
IUPAC Name9-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
SMILESCCCc1ccccc1-c1cccc(C2=CC3=C(CC2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc23)c1.Cc1ccc(-c2ccc3c(c2)C2=C(CCC=C2)C3C)cc1.Cc1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C40H36.C21H20.C16H16/c1-2-14-29-15-9-10-22-35(29)32-17-13-16-30(27-32)31-25-26-39-37(28-31)36-23-11-12-24-38(36)40(39,33-18-5-3-6-19-33)34-20-7-4-8-21-34;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;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3/h3-7,9-13,15-20,22-24,27-28H,2,8,14,21,25-26H2,1H3;4,6-13,15H,3,5H2,1-2H3;4-10H,1-3H3
InChIKeyGSBCSPACBPOXLS-UHFFFAOYSA-N
XLogP20.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.42
LogP ≤ 520.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexa-1,3-dien-1-yl-N-[3-[4-(9,9-diphenyl-5,6-dihydrofluoren-3-yl)phenyl]phenyl]-N-[3-[3-methyl-2-(2-propylcyclohexa-1,5-dien-1-yl)phenyl]phenyl]aniline
CID 156827010
9-cyclohexa-1,3-dien-1-yl-2-methyl-9-phenyl-1,2-dihydrofluorene
CID 142567565
N-[2-[5-(9-cyclohexa-1,3-dien-1-yl-9-phenyl-1,2-dihydrofluoren-3-yl)cyclohexa-2,4-dien-1-yl]phenyl]-N-[3-(6,7-dihydrodibenzofuran-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 156827387
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
3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
9-cyclohexa-1,3-dien-1-yl-9-phenyl-N-[(4-phenylphenyl)methyl]spiro[anthracene-10,9'-fluorene]-2'-amine;ethane;hydrazine;toluene
CID 142504501
9,9-dimethyl-2-(4-methylphenyl)fluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 162061427
N-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 144583099
2-butan-2-yl-9,9-diphenylfluorene;ethane;1-methyl-2-(2-methylcyclohexa-1,5-dien-1-yl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-phenylbenzene
CID 144810091
N-[4-(9-cyclohexa-1,3-dien-1-yl-9-phenylfluoren-4-yl)phenyl]-N-(9,9-dimethyl-7-phenylfluoren-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-4-amine
CID 129266491
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
N-(3-tert-butyl-4-phenylphenyl)-9-cyclohexa-1,3-dien-1-yl-N-(7,8-dihydronaphthalen-2-yl)-6,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 170096450

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1ccccc1-c1cccc(C2=CC3=C(CC2)C(C2=CC=CCC2)(c2ccccc2)c2ccccc23)c1.Cc1ccc(-c2ccc3c(c2)C2=C(CCC=C2)C3C)cc1.Cc1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of 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?
The InChIKey is GSBCSPACBPOXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36.C21H20.C16H16/c1-2-14-29-15-9-10-22-35(29)32-17-13-16-30(27-32)31-25-26-39-37(28-31)36-23-11-12-24-38(36)40(39,33-18-5-3-6-19-33)34-20-7-4-8-21-34;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;1-11-7-6-10-14-15(11)12-8-4-5-9-13(12)16(14,2)3/h3-7,9-13,15-20,22-24,27-28H,2,8,14,21,25-26H2,1H3;4,6-13,15H,3,5H2,1-2H3;4-10H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 997.42 g/mol, XLogP of 20.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156827380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).