17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine

C35H33BN2 — CID 169288203

IUPAC17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine
SMILESCN(C)c1cc(N(C)C)c2cc3c4c(ccc5ccc1c2c54)B(c1ccccc1)c1ccccc1C3(C)C
InChIInChI=1S/C35H33BN2/c1-35(2)26-14-10-11-15-28(26)36(23-12-8-7-9-13-23)29-19-17-22-16-18-24-30(37(3)4)21-31(38(5)6)25-20-27(35)34(29)32(22)33(24)25/h7-21H,1-6H3
InChIKeyJHLVDQNIZRLJQI-UHFFFAOYSA-N
MW492.48 g/mol
LogP5.87
Rot. Bonds3

About 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine

17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine (PubChem CID 169288203) has the molecular formula C35H33BN2 and a molecular weight of 492.48 g/mol. Its IUPAC name is 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine.

Molecular Properties

Compound Name17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine
PubChem CID169288203
Molecular FormulaC35H33BN2
Molecular Weight492.48 g/mol
Exact Mass492.27
IUPAC Name17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine
SMILESCN(C)c1cc(N(C)C)c2cc3c4c(ccc5ccc1c2c54)B(c1ccccc1)c1ccccc1C3(C)C
InChIInChI=1S/C35H33BN2/c1-35(2)26-14-10-11-15-28(26)36(23-12-8-7-9-13-23)29-19-17-22-16-18-24-30(37(3)4)21-31(38(5)6)25-20-27(35)34(29)32(22)33(24)25/h7-21H,1-6H3
InChIKeyJHLVDQNIZRLJQI-UHFFFAOYSA-N
XLogP5.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.48
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine with MolForge

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Related Compounds

2,2-dimethyl-N,N,9-triphenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16,18,20-undecaen-17-amine
CID 169288268
17-N,17-N,19-N,19-N,2-pentamethyl-9-phenyl-2-aza-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine
CID 169288030
9,9-dimethyl-2-phenyl-17,19-bis(2-phenylphenyl)-2-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene
CID 169288320
3,3-dimethyl-10-phenyl-17,19-di(propan-2-yl)-10-borahexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,4,6,8,11,13(23),14,16(24),17,19,21-undecaene
CID 169288350
10-methyl-17-N,17-N,19-N,19-N,3-pentakis-phenyl-10-aza-3-borahexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene-17,19-diamine
CID 169288167
10-methyl-5,10-diphenylbenzo[b][1]benzoborinine
CID 171732622
3,3,10,10-tetramethylhexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1(23),2(11),4,6,8,12,14,16(24),17,19,21-undecaene
CID 123216847
6-(N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anilino)pyren-1-ol
CID 118547556
9-methyl-2-phenyl-17,19-di(propan-2-yl)-9-aza-2-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene
CID 169288112
8,8,14,14-tetramethyl-11-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 142356831
2-methyl-9-phenyl-17-(2,4,6-trimethylphenyl)-2-aza-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16,18,20-undecaene
CID 169288286
22,22-dimethyl-14-phenyl-8-thia-1-aza-14-borahexacyclo[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 155605503

Frequently Asked Questions

What is the IUPAC name of 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine?
The IUPAC name of 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine (CID 169288203) is 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine.
What is the SMILES notation for 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine?
The canonical SMILES for 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine is CN(C)c1cc(N(C)C)c2cc3c4c(ccc5ccc1c2c54)B(c1ccccc1)c1ccccc1C3(C)C.
What is the InChIKey of 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine?
The InChIKey is JHLVDQNIZRLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33BN2/c1-35(2)26-14-10-11-15-28(26)36(23-12-8-7-9-13-23)29-19-17-22-16-18-24-30(37(3)4)21-31(38(5)6)25-20-27(35)34(29)32(22)33(24)25/h7-21H,1-6H3.
What are the key properties of 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine?
17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine has a molecular weight of 492.48 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-N,17-N,19-N,19-N,2,2-hexamethyl-9-phenyl-9-borahexacyclo[18.3.1.03,8.010,23.013,22.016,21]tetracosa-1(24),3,5,7,10(23),11,13(22),14,16(21),17,19-undecaene-17,19-diamine is sourced from PubChem (CID 169288203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).