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

C44H44 — CID 123414948

IUPAC5,5,19,19,20,20,34,34-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
SMILESCC1(C)c2ccc3ccccc3c2C2=CC3=C(CC21)C1=C(C=C2c4c(ccc5ccccc45)C(C)(C)C2C1)C(C)(C)C3(C)C
InChIInChI=1S/C44H44/c1-41(2)33-19-17-25-13-9-11-15-27(25)39(33)31-23-37-29(21-35(31)41)30-22-36-32(24-38(30)44(7,8)43(37,5)6)40-28-16-12-10-14-26(28)18-20-34(40)42(36,3)4/h9-20,23-24,35-36H,21-22H2,1-8H3
InChIKeyDVMRITPDJIMNAE-UHFFFAOYSA-N
MW572.84 g/mol
LogP11.74
Rot. Bonds

About 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

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 (PubChem CID 123414948) has the molecular formula C44H44 and a molecular weight of 572.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,5,19,19,20,20,34,34-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
PubChem CID123414948
Molecular FormulaC44H44
Molecular Weight572.84 g/mol
Exact Mass572.34
IUPAC Name5,5,19,19,20,20,34,34-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
SMILESCC1(C)c2ccc3ccccc3c2C2=CC3=C(CC21)C1=C(C=C2c4c(ccc5ccccc45)C(C)(C)C2C1)C(C)(C)C3(C)C
InChIInChI=1S/C44H44/c1-41(2)33-19-17-25-13-9-11-15-27(25)39(33)31-23-37-29(21-35(31)41)30-22-36-32(24-38(30)44(7,8)43(37,5)6)40-28-16-12-10-14-26(28)18-20-34(40)42(36,3)4/h9-20,23-24,35-36H,21-22H2,1-8H3
InChIKeyDVMRITPDJIMNAE-UHFFFAOYSA-N
XLogP11.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.84
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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

12,12,14,14-tetramethyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11792273
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
2-methyl-1-(2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-ylidene)-2,3-dihydrocyclopenta[a]naphthalene
CID 5245935
7,7-dimethylbenzo[c]fluorene;hydroiodide
CID 144938625
7,7-dimethylbenzo[c]fluorene;ethane
CID 90712910
11,11-dimethylpentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
CID 145100459
N,N-bis(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-amine
CID 130290230
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;ethane
CID 91010195
spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 162698475
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccc3ccccc3c2C2=CC3=C(CC21)C1=C(C=C2c4c(ccc5ccccc45)C(C)(C)C2C1)C(C)(C)C3(C)C.
What is the InChIKey of 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?
The InChIKey is DVMRITPDJIMNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44/c1-41(2)33-19-17-25-13-9-11-15-27(25)39(33)31-23-37-29(21-35(31)41)30-22-36-32(24-38(30)44(7,8)43(37,5)6)40-28-16-12-10-14-26(28)18-20-34(40)42(36,3)4/h9-20,23-24,35-36H,21-22H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 572.84 g/mol, XLogP of 11.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123414948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).