4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene

C56H44 — CID 90936800

IUPAC4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene
SMILESCc1ccc(C)c(-c2ccc3c(c2)C24c5cc(-c6cc(C)ccc6C)ccc5-c5ccc(cc52)-c2cc(C)ccc2Cc2ccc(C)cc2-c2ccc-3c4c2)c1
InChIInChI=1S/C56H44/c1-32-7-11-36(5)48(23-32)40-15-19-44-46-21-17-42-30-54(46)56(52(44)28-40)53-29-41(49-24-33(2)8-12-37(49)6)16-20-45(53)47-22-18-43(31-55(47)56)51-26-35(4)10-14-39(51)27-38-13-9-34(3)25-50(38)42/h7-26,28-31H,27H2,1-6H3
InChIKeyPJZFDSAURNRBNU-UHFFFAOYSA-N
MW716.97 g/mol
LogP14.45
Rot. Bonds2

About 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene

4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene (PubChem CID 90936800) has the molecular formula C56H44 and a molecular weight of 716.97 g/mol. Its IUPAC name is 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene.

Molecular Properties

Compound Name4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene
PubChem CID90936800
Molecular FormulaC56H44
Molecular Weight716.97 g/mol
Exact Mass716.34
IUPAC Name4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene
SMILESCc1ccc(C)c(-c2ccc3c(c2)C24c5cc(-c6cc(C)ccc6C)ccc5-c5ccc(cc52)-c2cc(C)ccc2Cc2ccc(C)cc2-c2ccc-3c4c2)c1
InChIInChI=1S/C56H44/c1-32-7-11-36(5)48(23-32)40-15-19-44-46-21-17-42-30-54(46)56(52(44)28-40)53-29-41(49-24-33(2)8-12-37(49)6)16-20-45(53)47-22-18-43(31-55(47)56)51-26-35(4)10-14-39(51)27-38-13-9-34(3)25-50(38)42/h7-26,28-31H,27H2,1-6H3
InChIKeyPJZFDSAURNRBNU-UHFFFAOYSA-N
XLogP14.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.97
LogP ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene 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

2,2',7,7'-tetrakis[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140756930
2,7-dimethyl-9,9-diphenylfluorene;3,6-dimethyl-9H-fluorene;2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 157309373
4,5-dimethyl-9H-fluorene;2,2'-dimethyl-9,9'-spirobi[fluorene];2',7'-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];3,6-dimethyl-9,9'-spirobi[fluorene];ethane
CID 161481336
2,2',7,7'-tetrakis[4-(3-methylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140757122
2',7'-bis(4-methylphenyl)-2,7-diphenyl-9,9'-spirobi[fluorene];ethane
CID 91153599
2,2',3',6',7,7'-hexamethyl-9,9'-spirobi[fluorene];methane
CID 158619451
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;1-methyl-4-(4-methylphenyl)benzene;1,3-xylene;1,4-xylene
CID 159931910
1,4-bis(4-methylphenyl)benzene;2,7-dimethyl-9H-fluorene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
CID 163621135
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
CID 157144570
bis(2,7-dimethyl-9H-fluorene);ethane;methane
CID 159270379
2',7'-dimethylspiro[7,17-dioxapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5(9),10,13,15(19)-hexaene-2,9'-fluorene]-6,8,16,18-tetrone;methane
CID 163656399
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057

Frequently Asked Questions

What is the IUPAC name of 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene?
The IUPAC name of 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene (CID 90936800) is 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene.
What is the SMILES notation for 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene?
The canonical SMILES for 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene is Cc1ccc(C)c(-c2ccc3c(c2)C24c5cc(-c6cc(C)ccc6C)ccc5-c5ccc(cc52)-c2cc(C)ccc2Cc2ccc(C)cc2-c2ccc-3c4c2)c1.
What is the InChIKey of 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene?
The InChIKey is PJZFDSAURNRBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44/c1-32-7-11-36(5)48(23-32)40-15-19-44-46-21-17-42-30-54(46)56(52(44)28-40)53-29-41(49-24-33(2)8-12-37(49)6)16-20-45(53)47-22-18-43(31-55(47)56)51-26-35(4)10-14-39(51)27-38-13-9-34(3)25-50(38)42/h7-26,28-31H,27H2,1-6H3.
What are the key properties of 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene?
4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene has a molecular weight of 716.97 g/mol, XLogP of 14.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,32-bis(2,5-dimethylphenyl)-14,22-dimethylnonacyclo[23.9.2.28,11.01,9.02,7.012,17.019,24.028,35.029,34]octatriaconta-2(7),3,5,8,10,12(17),13,15,19(24),20,22,25(36),26,28(35),29(34),30,32,37-octadecaene is sourced from PubChem (CID 90936800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).