9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene

C63H65N — CID 144613924

IUPAC9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene
SMILESC=Cc1c(-n2c3ccccc3c3ccccc32)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC1=CCCC=C1.Cc1ccccc1.Cc1ccccc1-c1cccc(C)c1C(C)C
InChIInChI=1S/C32H27N.C17H20.C7H10.C7H8/c1-6-21-22(7-2)31-25-17-16-20(3)18-26(25)32(4,5)27(31)19-30(21)33-28-14-10-8-12-23(28)24-13-9-11-15-29(24)33;1-12(2)17-14(4)9-7-11-16(17)15-10-6-5-8-13(15)3;2*1-7-5-3-2-4-6-7/h6-19H,1-2H2,3-5H3;5-12H,1-4H3;3,5-6H,2,4H2,1H3;2-6H,1H3
InChIKeyKUQCPZGGFUGZNH-UHFFFAOYSA-N
MW836.22 g/mol
LogP18.06
Rot. Bonds5

About 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene

9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene (PubChem CID 144613924) has the molecular formula C63H65N and a molecular weight of 836.22 g/mol. Its IUPAC name is 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene.

Molecular Properties

Compound Name9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene
PubChem CID144613924
Molecular FormulaC63H65N
Molecular Weight836.22 g/mol
Exact Mass835.51
IUPAC Name9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene
SMILESC=Cc1c(-n2c3ccccc3c3ccccc32)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC1=CCCC=C1.Cc1ccccc1.Cc1ccccc1-c1cccc(C)c1C(C)C
InChIInChI=1S/C32H27N.C17H20.C7H10.C7H8/c1-6-21-22(7-2)31-25-17-16-20(3)18-26(25)32(4,5)27(31)19-30(21)33-28-14-10-8-12-23(28)24-13-9-11-15-29(24)33;1-12(2)17-14(4)9-7-11-16(17)15-10-6-5-8-13(15)3;2*1-7-5-3-2-4-6-7/h6-19H,1-2H2,3-5H3;5-12H,1-4H3;3,5-6H,2,4H2,1H3;2-6H,1H3
InChIKeyKUQCPZGGFUGZNH-UHFFFAOYSA-N
XLogP18.06
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.22
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene with MolForge

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Related Compounds

5-cyclohexa-1,5-dien-1-yl-7,7,9-trimethylbenzo[c]fluorene
CID 144663219
1,2-diethyl-3-(2-methylphenyl)benzene;1-(2-methylphenyl)-2,3-di(propan-2-yl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene;1,3-xylene
CID 144613457
5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
CID 144614242
9-(9,9-dimethylfluoren-2-yl)carbazole;toluene
CID 145272995
2,3-bis(ethenyl)-5-methyl-1-benzofuran;1-ethyl-2-(2-methylphenyl)benzene;5,7,7,9-tetramethylbenzo[c]fluorene;toluene
CID 144613327
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183
4-N-cyclohexa-1,5-dien-1-yl-1-N,4-N-bis(9,9-dimethylfluoren-2-yl)-2-(9-naphthalen-1-ylcarbazol-3-yl)-1-N-phenylbenzene-1,4-diamine
CID 87174608
7,7-dimethyl-5-(7,9,9-trimethylfluoren-2-yl)indeno[2,1-b]carbazole
CID 118214461
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
5-carbazol-9-yl-7,7-dimethyl-N-[2-methyl-3-(2-methylphenyl)phenyl]-N-[3-(2-methylphenyl)-4-propylphenyl]benzo[g]fluoren-9-amine
CID 144613129
7,7-dimethyl-5-(4-methylphenyl)-8,9-dihydroindeno[2,1-b]carbazole
CID 170390566
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355

Frequently Asked Questions

What is the IUPAC name of 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene?
The IUPAC name of 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene (CID 144613924) is 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene.
What is the SMILES notation for 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene?
The canonical SMILES for 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene is C=Cc1c(-n2c3ccccc3c3ccccc32)cc2c(c1C=C)-c1ccc(C)cc1C2(C)C.CC1=CCCC=C1.Cc1ccccc1.Cc1ccccc1-c1cccc(C)c1C(C)C.
What is the InChIKey of 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene?
The InChIKey is KUQCPZGGFUGZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N.C17H20.C7H10.C7H8/c1-6-21-22(7-2)31-25-17-16-20(3)18-26(25)32(4,5)27(31)19-30(21)33-28-14-10-8-12-23(28)24-13-9-11-15-29(24)33;1-12(2)17-14(4)9-7-11-16(17)15-10-6-5-8-13(15)3;2*1-7-5-3-2-4-6-7/h6-19H,1-2H2,3-5H3;5-12H,1-4H3;3,5-6H,2,4H2,1H3;2-6H,1H3.
What are the key properties of 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene?
9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene has a molecular weight of 836.22 g/mol, XLogP of 18.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,4-bis(ethenyl)-7,9,9-trimethylfluoren-2-yl]carbazole;2-methylcyclohexa-1,3-diene;1-methyl-3-(2-methylphenyl)-2-propan-2-ylbenzene;toluene is sourced from PubChem (CID 144613924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).