N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C51H41BN2Si — CID 155645417

IUPACN,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESCc1cc(C)c(B2c3ccccc3N3c4ccc(N(c5ccccc5)c5ccccc5)cc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1
InChIInChI=1S/C51H41BN2Si/c1-36-33-37(2)50(38(3)34-36)52-44-27-16-17-29-46(44)54-47-32-31-41(53(39-19-8-4-9-20-39)40-21-10-5-11-22-40)35-49(47)55(42-23-12-6-13-24-42,43-25-14-7-15-26-43)48-30-18-28-45(52)51(48)54/h4-35H,1-3H3
InChIKeyBWISPGCECBGAEB-UHFFFAOYSA-N
MW720.80 g/mol
LogP8.07
Rot. Bonds6

About N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 155645417) has the molecular formula C51H41BN2Si and a molecular weight of 720.80 g/mol. Its IUPAC name is N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

Compound NameN,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
PubChem CID155645417
Molecular FormulaC51H41BN2Si
Molecular Weight720.80 g/mol
Exact Mass720.31
IUPAC NameN,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
SMILESCc1cc(C)c(B2c3ccccc3N3c4ccc(N(c5ccccc5)c5ccccc5)cc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1
InChIInChI=1S/C51H41BN2Si/c1-36-33-37(2)50(38(3)34-36)52-44-27-16-17-29-46(44)54-47-32-31-41(53(39-19-8-4-9-20-39)40-21-10-5-11-22-40)35-49(47)55(42-23-12-6-13-24-42,43-25-14-7-15-26-43)48-30-18-28-45(52)51(48)54/h4-35H,1-3H3
InChIKeyBWISPGCECBGAEB-UHFFFAOYSA-N
XLogP8.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.80
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine with MolForge

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Related Compounds

6-[8,8-diphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-yl]-N,N-diphenylpyren-1-amine
CID 155645461
5-(3-methylphenyl)-N,N,10,10-tetraphenylbenzo[b][1,4]benzazasilin-2-amine
CID 158362882
N,N,8,14,14-pentakis-phenyl-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 162507226
18-tert-butyl-22-(4-tert-butyl-2,6-dimethylphenyl)-9,9-dimethyl-N,N-diphenyl-2,22-diaza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16(21),17,19,23,25-dodecaen-25-amine
CID 167419282
6-methyl-8-(2-methylphenyl)-N,N,14-triphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-11-amine
CID 140965919
11-methyl-8,14-bis(4-methyl-2,6-diphenylphenyl)-N,N-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine
CID 158668983
7,7-diphenyl-20-(2,4,6-trimethylphenyl)spiro[14,20-diaza-7-sila-1-boranonacyclo[17.14.1.12,6.08,13.015,34.021,33.023,31.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15(34),16,18,21,23(31),24,26,28,32-pentadecaene-30,9'-fluorene]
CID 155645458
14-naphthalen-2-yl-N,N,14-triphenyl-8-[3-(N-phenylanilino)phenyl]-8-aza-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaen-5-amine
CID 162507221
9,9-diphenyl-22-thia-2-aza-9-sila-15-boraheptacyclo[13.11.1.12,10.03,8.016,21.023,27.014,28]octacosa-1(27),3,5,7,10,12,14(28),16,18,20,23,25-dodecaene
CID 162700949
5-N,5-N,11-N,11-N,8,8,14,22-octakis-phenyl-1-aza-8-sila-14,22-diborahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-5,11-diamine
CID 155645467
12,18-diphenyl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.05,10.013,29.019,28.020,25]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene;8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene;8-methyl-N,N,10-triphenyl-5-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinin-2-amine;5,11,17-trimethyl-8,14-bis(2,4,6-trimethylphenyl)-1-aza-8,14-diborapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 158338315
2,6,38-triphenyl-13-(2,4,6-trimethylphenyl)-2,6,24,38-tetraza-13,17,31-triboraundecacyclo[37.3.1.03,16.05,14.07,12.017,42.018,23.024,41.025,30.031,40.032,37]tritetraconta-1(42),3(16),4,7,9,11,14,18,20,22,25,27,29,32,34,36,39(43),40-octadecaene
CID 162209043

Frequently Asked Questions

What is the IUPAC name of N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The IUPAC name of N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 155645417) is N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.
What is the SMILES notation for N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The canonical SMILES for N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is Cc1cc(C)c(B2c3ccccc3N3c4ccc(N(c5ccccc5)c5ccccc5)cc4[Si](c4ccccc4)(c4ccccc4)c4cccc2c43)c(C)c1.
What is the InChIKey of N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
The InChIKey is BWISPGCECBGAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41BN2Si/c1-36-33-37(2)50(38(3)34-36)52-44-27-16-17-29-46(44)54-47-32-31-41(53(39-19-8-4-9-20-39)40-21-10-5-11-22-40)35-49(47)55(42-23-12-6-13-24-42,43-25-14-7-15-26-43)48-30-18-28-45(52)51(48)54/h4-35H,1-3H3.
What are the key properties of N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?
N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 720.80 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,8,8-tetraphenyl-14-(2,4,6-trimethylphenyl)-1-aza-8-sila-14-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 155645417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).