octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol

C365H489I9O37 — CID 160992365

IUPACoctadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol
SMILESCC1(C)C(=O)c2cccc3cccc1c23.CC1(C)C2CCC1C2.CC1(C)C2CCC1CC2.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1C2.CC1(C)CCC1.CC1(C)CCCCC1.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccccc21.CI.CI.CI.CI.CI.CI.CI.CI.CI.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18.C15H14.C14H12O.C12H20.18C12H10.2C9H16.C8H14.C8H16.C6H12.9CH3I.36CH4O/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(2)11-8-4-6-9-5-3-7-10(12(9)11)13(14)15;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;18*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(2)6-7-3-4-8(9)5-7;1-9(2)7-3-4-8(9)6-5-7;1-8(2)6-3-4-7(8)5-6;1-8(2)6-4-3-5-7-8;1-6(2)4-3-5-6;45*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;8-11H,3-7H2,1-2H3;18*1-10H;2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3;9*1H3;36*2H,1H3
InChIKeyTUULVTUSJKRXKM-UHFFFAOYSA-N
MW6611.03 g/mol
LogP86.09
Rot. Bonds18

About octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol

octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol (PubChem CID 160992365) has the molecular formula C365H489I9O37 and a molecular weight of 6611.03 g/mol. Its IUPAC name is octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol.

Molecular Properties

Compound Nameoctadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol
PubChem CID160992365
Molecular FormulaC365H489I9O37
Molecular Weight6611.03 g/mol
Exact Mass6606.78
IUPAC Nameoctadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol
SMILESCC1(C)C(=O)c2cccc3cccc1c23.CC1(C)C2CCC1C2.CC1(C)C2CCC1CC2.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1C2.CC1(C)CCC1.CC1(C)CCCCC1.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccccc21.CI.CI.CI.CI.CI.CI.CI.CI.CI.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18.C15H14.C14H12O.C12H20.18C12H10.2C9H16.C8H14.C8H16.C6H12.9CH3I.36CH4O/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(2)11-8-4-6-9-5-3-7-10(12(9)11)13(14)15;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;18*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(2)6-7-3-4-8(9)5-7;1-9(2)7-3-4-8(9)6-5-7;1-8(2)6-3-4-7(8)5-6;1-8(2)6-4-3-5-7-8;1-6(2)4-3-5-6;45*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;8-11H,3-7H2,1-2H3;18*1-10H;2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3;9*1H3;36*2H,1H3
InChIKeyTUULVTUSJKRXKM-UHFFFAOYSA-N
XLogP86.09
TPSA745.35 Ų
H-Bond Donors36
H-Bond Acceptors37
Rotatable Bonds18
Heavy Atoms411
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006611.03
LogP ≤ 586.09
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1037

Analyze octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol with MolForge

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Related Compounds

2,2-dimethyl-1H-acenaphthylene;2,2-dimethylacenaphthylen-1-one;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;methanol;naphthalene;propane
CID 160948741
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
CID 166508588
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217106
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylfluoren-2-amine
CID 156568019
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218290
bis(1,4-diphenylbenzene);tetrakis(11-methylbenzo[b]fluoren-11-ol);tetrakis(9-methylfluoren-9-ol);naphthalene
CID 158732908
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508635
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-8-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(3-phenylnaphthalen-2-yl)fluoren-2-amine
CID 171438962
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 155393837
N-[3-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028677
N-[4-[4-(1-adamantyl)phenyl]phenyl]-9,9-dimethyl-N-[3-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 169028701

Frequently Asked Questions

What is the IUPAC name of octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol?
The IUPAC name of octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol (CID 160992365) is octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol.
What is the SMILES notation for octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol?
The canonical SMILES for octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol is CC1(C)C(=O)c2cccc3cccc1c23.CC1(C)C2CCC1C2.CC1(C)C2CCC1CC2.CC1(C)CC2CC1C1CCCC21.CC1(C)CC2CCC1C2.CC1(C)CCC1.CC1(C)CCCCC1.CC1(C)c2cc3ccccc3cc2-c2cc3ccccc3cc21.CC1(C)c2ccccc2-c2ccccc21.CI.CI.CI.CI.CI.CI.CI.CI.CI.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol?
The InChIKey is TUULVTUSJKRXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18.C15H14.C14H12O.C12H20.18C12H10.2C9H16.C8H14.C8H16.C6H12.9CH3I.36CH4O/c1-23(2)21-13-17-9-5-3-7-15(17)11-19(21)20-12-16-8-4-6-10-18(16)14-22(20)23;1-15(2)13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14(2)11-8-4-6-9-5-3-7-10(12(9)11)13(14)15;1-12(2)7-8-6-11(12)10-5-3-4-9(8)10;18*1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-9(2)6-7-3-4-8(9)5-7;1-9(2)7-3-4-8(9)6-5-7;1-8(2)6-3-4-7(8)5-6;1-8(2)6-4-3-5-7-8;1-6(2)4-3-5-6;45*1-2/h3-14H,1-2H3;3-10H,1-2H3;3-8H,1-2H3;8-11H,3-7H2,1-2H3;18*1-10H;2*7-8H,3-6H2,1-2H3;6-7H,3-5H2,1-2H3;3-7H2,1-2H3;3-5H2,1-2H3;9*1H3;36*2H,1H3.
What are the key properties of octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol?
octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol has a molecular weight of 6611.03 g/mol, XLogP of 86.09, 18 rotatable bonds, 36 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for octadecakis(1,1'-biphenyl);2,2-dimethylacenaphthylen-1-one;2,2-dimethylbicyclo[2.2.1]heptane;7,7-dimethylbicyclo[2.2.1]heptane;5,5-dimethylbicyclo[2.1.1]hexane;1,1-dimethylcyclobutane;1,1-dimethylcyclohexane;9,9-dimethylfluorene;12,12-dimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene;8,8-dimethyltricyclo[5.2.1.02,6]decane;iodomethane;methanol is sourced from PubChem (CID 160992365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).