16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene

C38H29N3 — CID 140926254

IUPAC16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene
SMILESCC1(C)c2cc3ccc4ccccc4c3nc2N2c3nc4c(ccc5ccccc54)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C38H29N3/c1-37(2)28-14-9-15-29-34(28)41(35-30(37)20-24-18-16-22-10-5-7-12-26(22)32(24)39-35)36-31(38(29,3)4)21-25-19-17-23-11-6-8-13-27(23)33(25)40-36/h5-21H,1-4H3
InChIKeyABFBRELCABTQPP-UHFFFAOYSA-N
MW527.67 g/mol
LogP9.84
Rot. Bonds

About 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene

16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene (PubChem CID 140926254) has the molecular formula C38H29N3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene.

Molecular Properties

Compound Name16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene
PubChem CID140926254
Molecular FormulaC38H29N3
Molecular Weight527.67 g/mol
Exact Mass527.24
IUPAC Name16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene
SMILESCC1(C)c2cc3ccc4ccccc4c3nc2N2c3nc4c(ccc5ccccc54)cc3C(C)(C)c3cccc1c32
InChIInChI=1S/C38H29N3/c1-37(2)28-14-9-15-29-34(28)41(35-30(37)20-24-18-16-22-10-5-7-12-26(22)32(24)39-35)36-31(38(29,3)4)21-25-19-17-23-11-6-8-13-27(23)33(25)40-36/h5-21H,1-4H3
InChIKeyABFBRELCABTQPP-UHFFFAOYSA-N
XLogP9.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene with MolForge

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Related Compounds

8,8,14,14,22,22-hexamethyl-5-(4-naphthalen-1-ylphenyl)-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 91355361
8,8,14,14,22,22-hexamethyl-5,11-dinaphthalen-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 70892958
9,9-dimethyl-10-phenanthren-3-ylacridine
CID 155173536
8,8,14,14-tetramethyl-4-(4-methylphenyl)-18-phenyl-1,3,19-triazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 140926258
5,11-bis[11-[11-[11-(8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-8,8,14,14,22,22-hexamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90295974
9,9-bis(benzo[h]quinolin-2-yl)-10-(2,4,6-trimethylphenyl)acridine
CID 90268718
8,8,14,14-tetramethyl-5-(2-naphthalen-1-ylphenyl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 70892961
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
5,8,8,14,14,22,22-heptamethyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 118518030
8,8,14,14,22,22-hexamethyl-5-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 70885935
8,8,14,14,22,22-hexamethyl-N-naphthalen-2-yl-N-quinolin-2-yl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-amine
CID 70886398
20,20-dimethylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14,16,18,21,23-dodecaene
CID 123610165

Frequently Asked Questions

What is the IUPAC name of 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene?
The IUPAC name of 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene (CID 140926254) is 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene.
What is the SMILES notation for 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene?
The canonical SMILES for 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene is CC1(C)c2cc3ccc4ccccc4c3nc2N2c3nc4c(ccc5ccccc54)cc3C(C)(C)c3cccc1c32.
What is the InChIKey of 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene?
The InChIKey is ABFBRELCABTQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N3/c1-37(2)28-14-9-15-29-34(28)41(35-30(37)20-24-18-16-22-10-5-7-12-26(22)32(24)39-35)36-31(38(29,3)4)21-25-19-17-23-11-6-8-13-27(23)33(25)40-36/h5-21H,1-4H3.
What are the key properties of 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene?
16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene has a molecular weight of 527.67 g/mol, XLogP of 9.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16,22,22-tetramethyl-1,3,35-triazanonacyclo[19.15.1.02,15.04,13.05,10.017,37.023,36.025,34.028,33]heptatriaconta-2(15),3,5,7,9,11,13,17(37),18,20,23(36),24,26,28,30,32,34-heptadecaene is sourced from PubChem (CID 140926254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).