17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene

C60H53BN2 — CID 174124362

IUPAC17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene
SMILESCC(C)(C)c1ccc(N2B3c4cccc5c4N(c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc(C(C)(C)C)cc(c43)-c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C60H53BN2/c1-57(2,3)38-30-32-42(33-31-38)63-53-37-50-44(43-24-15-16-25-47(43)59(50,7)8)36-45(53)46-34-41(58(4,5)6)35-54-55(46)61(63)51-28-19-27-49-56(51)62(54)52-29-18-17-26-48(52)60(49,39-20-11-9-12-21-39)40-22-13-10-14-23-40/h9-37H,1-8H3
InChIKeyCLMHWWDFKSEAAM-UHFFFAOYSA-N
MW812.91 g/mol
LogP13.99
Rot. Bonds3

About 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene

17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene (PubChem CID 174124362) has the molecular formula C60H53BN2 and a molecular weight of 812.91 g/mol. Its IUPAC name is 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene.

Molecular Properties

Compound Name17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene
PubChem CID174124362
Molecular FormulaC60H53BN2
Molecular Weight812.91 g/mol
Exact Mass812.43
IUPAC Name17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene
SMILESCC(C)(C)c1ccc(N2B3c4cccc5c4N(c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc(C(C)(C)C)cc(c43)-c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1
InChIInChI=1S/C60H53BN2/c1-57(2,3)38-30-32-42(33-31-38)63-53-37-50-44(43-24-15-16-25-47(43)59(50,7)8)36-45(53)46-34-41(58(4,5)6)35-54-55(46)61(63)51-28-19-27-49-56(51)62(54)52-29-18-17-26-48(52)60(49,39-20-11-9-12-21-39)40-22-13-10-14-23-40/h9-37H,1-8H3
InChIKeyCLMHWWDFKSEAAM-UHFFFAOYSA-N
XLogP13.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.91
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene 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

33-(4-tert-butylphenyl)-23,23-dimethyl-N,N-bis(3-phenylphenyl)spiro[14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20,22(30),24,26,28,31-pentadecaene-7,9'-fluorene]-17-amine
CID 174124407
N,N,16-tris(4-tert-butylphenyl)-25-methyl-9,9-diphenyl-2,16-diaza-15-boraheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),17(22),18,20,23(27),24-dodecaen-20-amine
CID 174123334
6,6,9,9-tetramethyl-15,25,25-triphenyl-2-(4-phenylphenyl)-2,18-diaza-1-boraoctacyclo[15.13.1.118,26.03,12.05,10.013,31.019,24.030,32]dotriaconta-3,5(10),11,13(31),14,16,19,21,23,26,28,30(32)-dodecaene
CID 174123290
40-(4-tert-butylphenyl)-23,23-dimethyl-7,7-diphenyl-29-thia-14,40-diaza-1-boraundecacyclo[24.14.1.12,6.08,13.015,41.016,24.017,22.027,39.028,36.030,35.014,42]dotetraconta-2(42),3,5,8,10,12,15(41),16(24),17,19,21,25,27(39),28(36),30,32,34,37-octadecaene
CID 174128588
33-(4-tert-butylphenyl)-17-methylspiro[23-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,24,26,28,30-pentadecaene-7,9'-fluorene]
CID 174124292
N,N-bis(4-tert-butylphenyl)-9,9,25-triphenyl-16-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-2,16-diaza-15-boraheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),17(22),18,20,23(27),24-dodecaen-19-amine
CID 174123324
33-(4-tert-butylphenyl)-7,7-diphenyl-N,N-bis(3-phenylphenyl)-23-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.024,29.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,24,26,28,30-pentadecaen-17-amine
CID 174124261
28,28-dimethyl-7,7-diphenyl-N,N,33-tris(4-phenylphenyl)-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.021,29.022,27.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21(29),22,24,26,30-pentadecaen-17-amine
CID 174014511
23-tert-butyl-19,27-bis(4-tert-butylphenyl)-8,8,11,11,15,15,30,30-octamethyl-19,27-diaza-20-boradecacyclo[18.18.1.02,18.04,16.05,14.07,12.021,26.028,39.029,37.031,36]nonatriaconta-1(38),2(18),3,5,7(12),13,16,21(26),22,24,28(39),29(37),31,33,35-pentadecaene
CID 174132084
19-(4-tert-butylphenyl)-34-(4-tert-butyl-2-phenylphenyl)-10,10,30,30-tetramethyl-19,34-diaza-20-boranonacyclo[18.14.1.03,11.04,9.012,35.013,18.021,33.023,31.024,29]pentatriaconta-1(35),2,4,6,8,11,13,15,17,21,23(31),24,26,28,32-pentadecaene
CID 174128318
N,N,16-tris(4-tert-butylphenyl)-9,9,25-trimethyl-2,16-diaza-15-boraheptacyclo[13.11.1.12,10.03,8.017,22.023,27.014,28]octacosa-1(26),3,5,7,10,12,14(28),17(22),18,20,23(27),24-dodecaen-20-amine
CID 174123299
33-(4-tert-butylphenyl)-7,7-dimethyl-29-oxa-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene
CID 174126300

Frequently Asked Questions

What is the IUPAC name of 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?
The IUPAC name of 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene (CID 174124362) is 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene.
What is the SMILES notation for 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?
The canonical SMILES for 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene is CC(C)(C)c1ccc(N2B3c4cccc5c4N(c4ccccc4C5(c4ccccc4)c4ccccc4)c4cc(C(C)(C)C)cc(c43)-c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1.
What is the InChIKey of 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?
The InChIKey is CLMHWWDFKSEAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H53BN2/c1-57(2,3)38-30-32-42(33-31-38)63-53-37-50-44(43-24-15-16-25-47(43)59(50,7)8)36-45(53)46-34-41(58(4,5)6)35-54-55(46)61(63)51-28-19-27-49-56(51)62(54)52-29-18-17-26-48(52)60(49,39-20-11-9-12-21-39)40-22-13-10-14-23-40/h9-37H,1-8H3.
What are the key properties of 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene?
17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene has a molecular weight of 812.91 g/mol, XLogP of 13.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-tert-butyl-33-(4-tert-butylphenyl)-29,29-dimethyl-7,7-diphenyl-14,33-diaza-1-boranonacyclo[17.14.1.12,6.08,13.015,34.020,32.022,30.023,28.014,35]pentatriaconta-2(35),3,5,8,10,12,15,17,19(34),20(32),21,23,25,27,30-pentadecaene is sourced from PubChem (CID 174124362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).