6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene

C46H40 — CID 123821787

IUPAC6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene
SMILESCC1(C)C2=C(CC3C(=C2)c2c(c4c(c5ccccc25)C2=CC=CCC2C=C4)C3(C)C)c2c1cc1ccc3c4c1c2=CCC4CCC=3
InChIInChI=1S/C46H40/c1-45(2)36-24-35-37(23-34(36)42-32-20-19-27-12-9-11-26-16-17-28(22-38(42)45)40(32)39(26)27)46(3,4)44-33-21-18-25-10-5-6-13-29(25)41(33)30-14-7-8-15-31(30)43(35)44/h5-8,11,13-18,20-22,24-25,27,37H,9-10,12,19,23H2,1-4H3
InChIKeyGPYAFYPBOWEANY-UHFFFAOYSA-N
MW592.83 g/mol
LogP10.26
Rot. Bonds

About 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene

6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene (PubChem CID 123821787) has the molecular formula C46H40 and a molecular weight of 592.83 g/mol. Its IUPAC name is 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene.

Molecular Properties

Compound Name6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene
PubChem CID123821787
Molecular FormulaC46H40
Molecular Weight592.83 g/mol
Exact Mass592.31
IUPAC Name6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene
SMILESCC1(C)C2=C(CC3C(=C2)c2c(c4c(c5ccccc25)C2=CC=CCC2C=C4)C3(C)C)c2c1cc1ccc3c4c1c2=CCC4CCC=3
InChIInChI=1S/C46H40/c1-45(2)36-24-35-37(23-34(36)42-32-20-19-27-12-9-11-26-16-17-28(22-38(42)45)40(32)39(26)27)46(3,4)44-33-21-18-25-10-5-6-13-29(25)41(33)30-14-7-8-15-31(30)43(35)44/h5-8,11,13-18,20-22,24-25,27,37H,9-10,12,19,23H2,1-4H3
InChIKeyGPYAFYPBOWEANY-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.83
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene 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

8-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-1,9a-dihydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
CID 123924122
8-[7-(9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl)-9,9-dimethyl-3,4,5,6-tetrahydrofluoren-2-yl]-1,2,10,10a-tetrahydropyrene
CID 123504405
7-[3-[7-[3-(5,5a,6,7-tetrahydropyren-2-yl)-5-cyclohexa-1,3-dien-1-yloxycyclohexa-1,3-dien-1-yl]-9,9-dimethyl-5,6-dihydrofluoren-2-yl]-5-phenoxyphenyl]-1,2,10,10a-tetrahydropyrene
CID 89357461
5,5,19,19,20,20,34,34-octamethylnonacyclo[19.15.0.02,18.04,16.06,15.09,14.023,35.024,33.025,30]hexatriaconta-1(21),2(18),6(15),7,9,11,13,16,22,24(33),25,27,29,31-tetradecaene
CID 123414948
13-(6,7-dihydronaphthalen-1-yl)-10,10,22,22-tetramethylhexacyclo[16.3.1.02,7.09,21.011,20.014,19]docosa-1(21),2,4,11(20),12,14(19),15,17-octaene
CID 90777301
3-[6-(7,8,8a,9-tetrahydropyren-1-yl)-3,4,7,8-tetrahydronaphthalen-2-yl]-1,2,10,10a-tetrahydropyrene
CID 123753172
11-[2-(9,9'-spirobi[fluorene]-4'-yl)quinazolin-4-yl]-4,4a-dihydrobenzo[a]carbazole
CID 163677441
7-(3,4,4a,5-tetrahydronaphthalen-1-yl)-10-(6,7-dihydronaphthalen-1-yl)-5,14,16,19-tetranaphthalen-1-yl-12,22-dioxahexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 89298312
5-[3-[10-(1,7,8,8a-tetrahydronaphthalen-2-yl)anthracen-9-yl]phenyl]-9,9-dimethyl-16-thiahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,7,11,13,15(23),17,19,21-decaene
CID 163559245
9-(1,7,8,8a-tetrahydronaphthalen-2-yl)-10-(3,4,4a,5-tetrahydronaphthalen-2-yl)-2,3-dihydroanthracene
CID 123175612
6-(5a,6-dihydropyren-1-yl)-17-tert-butyl-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),3(8),4,6,10,12(22),13,15,17,19(23)-decaene
CID 140717829
9-[4-(3,4,4a,5-tetrahydronaphthalen-2-yl)cyclohexa-1,3-dien-1-yl]-10-(6,7-dihydronaphthalen-1-yl)anthracene
CID 123406834

Frequently Asked Questions

What is the IUPAC name of 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene?
The IUPAC name of 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene (CID 123821787) is 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene.
What is the SMILES notation for 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene?
The canonical SMILES for 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene is CC1(C)C2=C(CC3C(=C2)c2c(c4c(c5ccccc25)C2=CC=CCC2C=C4)C3(C)C)c2c1cc1ccc3c4c1c2=CCC4CCC=3.
What is the InChIKey of 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene?
The InChIKey is GPYAFYPBOWEANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40/c1-45(2)36-24-35-37(23-34(36)42-32-20-19-27-12-9-11-26-16-17-28(22-38(42)45)40(32)39(26)27)46(3,4)44-33-21-18-25-10-5-6-13-29(25)41(33)30-14-7-8-15-31(30)43(35)44/h5-8,11,13-18,20-22,24-25,27,37H,9-10,12,19,23H2,1-4H3.
What are the key properties of 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene?
6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene has a molecular weight of 592.83 g/mol, XLogP of 10.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,28,28-tetramethylundecacyclo[32.6.2.02,29.03,27.05,25.07,24.08,17.011,16.018,23.031,41.038,42]dotetraconta-1(40),2(29),3(27),7(24),8(17),9,13,15,18,20,22,25,30,32,34,41-hexadecaene is sourced from PubChem (CID 123821787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).