16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene

C40H30 — CID 140777470

IUPAC16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)C(C)(C)c1c-3ccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C40H30/c1-39(2)33-22-17-23-11-5-6-12-24(23)34(33)32-21-20-31-30-19-18-29-27-15-8-7-13-25(27)26-14-9-10-16-28(26)35(29)36(30)40(3,4)37(31)38(32)39/h5-22H,1-4H3
InChIKeyWWBYBBOQCBNUMO-UHFFFAOYSA-N
MW510.68 g/mol
LogP10.91
Rot. Bonds

About 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene

16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene (PubChem CID 140777470) has the molecular formula C40H30 and a molecular weight of 510.68 g/mol. Its IUPAC name is 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene.

Molecular Properties

Compound Name16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene
PubChem CID140777470
Molecular FormulaC40H30
Molecular Weight510.68 g/mol
Exact Mass510.23
IUPAC Name16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene
SMILESCC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)C(C)(C)c1c-3ccc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C40H30/c1-39(2)33-22-17-23-11-5-6-12-24(23)34(33)32-21-20-31-30-19-18-29-27-15-8-7-13-25(27)26-14-9-10-16-28(26)35(29)36(30)40(3,4)37(31)38(32)39/h5-22H,1-4H3
InChIKeyWWBYBBOQCBNUMO-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene with MolForge

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Related Compounds

25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane
CID 90810570
25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane;propane
CID 90957624
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaen-17-amine
CID 130289772
15-methylhexacyclo[12.11.0.02,11.05,10.016,25.017,22]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaen-15-ol
CID 143060369
3,3-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]heptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 140761225
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;ethane
CID 91017254
5,5,19,19-tetramethylnonacyclo[18.16.0.02,18.04,16.06,15.09,14.023,36.024,33.025,30]hexatriaconta-1(20),2(18),3,6(15),7,9,11,13,16,21,23(36),24(33),25,27,29,31,34-heptadecaene
CID 58261583
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
16,16-dimethyl-20-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]hexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2,4,6,8,10,12,15(23),17(22),18,20,24-dodecaene
CID 140934967
7,7-dimethyl-8-[10-(2-phenylphenyl)anthracen-9-yl]benzo[c]fluorene
CID 140724953
16,16,30,30-tetramethyloctacyclo[15.15.0.02,15.05,14.07,12.019,31.020,29.021,26]dotriaconta-1(32),2(15),3,5,7,9,11,13,17,19(31),20(29),21,23,25,27-pentadecaene
CID 58261394
12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)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 58151571

Frequently Asked Questions

What is the IUPAC name of 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene?
The IUPAC name of 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene (CID 140777470) is 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene.
What is the SMILES notation for 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene?
The canonical SMILES for 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene is CC1(C)c2ccc3ccccc3c2-c2ccc3c(c21)C(C)(C)c1c-3ccc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene?
The InChIKey is WWBYBBOQCBNUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30/c1-39(2)33-22-17-23-11-5-6-12-24(23)34(33)32-21-20-31-30-19-18-29-27-15-8-7-13-25(27)26-14-9-10-16-28(26)35(29)36(30)40(3,4)37(31)38(32)39/h5-22H,1-4H3.
What are the key properties of 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene?
16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene has a molecular weight of 510.68 g/mol, XLogP of 10.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,19,19-tetramethylnonacyclo[18.16.0.02,18.05,17.06,15.07,12.021,34.022,27.028,33]hexatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21(34),22,24,26,28,30,32,35-heptadecaene is sourced from PubChem (CID 140777470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).