19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene

C75H57BN2O3 — CID 172518469

About 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene

19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene (PubChem CID 172518469) has the molecular formula C75H57BN2O3 and a molecular weight of 1045.10 g/mol. Its IUPAC name is 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene.

Molecular Properties

• Compound Name: 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene
• PubChem CID: 172518469
• Molecular Formula: C75H57BN2O3
• Molecular Weight: 1045.10 g/mol
• Exact Mass: 1044.45
• IUPAC Name: 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene
• SMILES: CC1(C)c2ccccc2Oc2cc3c(cc21)B1c2cc4c(cc2N(c2c(-c5ccccc5)cccc2-c2ccccc2)c2cc(-c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)cc(c21)O3)Oc1ccccc1C4(C)C
• InChI: InChI=1S/C75H57BN2O3/c1-73(2)53-31-16-19-34-61(53)77(50-27-14-9-15-28-50)62-38-37-48(39-56(62)73)49-40-64-71-70(41-49)81-69-45-68-58(75(5,6)55-33-18-21-36-66(55)80-68)43-60(69)76(71)59-42-57-67(79-65-35-20-17-32-54(65)74(57,3)4)44-63(59)78(64)72-51(46-23-10-7-11-24-46)29-22-30-52(72)47-25-12-8-13-26-47/h7-45H,1-6H3
• InChIKey: PMLBFBFHJPXZCB-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.10
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene?

The IUPAC name of 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene (CID 172518469) is 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene.

What is the SMILES notation for 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene?

The canonical SMILES for 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene is CC1(C)c2ccccc2Oc2cc3c(cc21)B1c2cc4c(cc2N(c2c(-c5ccccc5)cccc2-c2ccccc2)c2cc(-c5ccc6c(c5)C(C)(C)c5ccccc5N6c5ccccc5)cc(c21)O3)Oc1ccccc1C4(C)C.

What is the InChIKey of 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene?

The InChIKey is PMLBFBFHJPXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H57BN2O3/c1-73(2)53-31-16-19-34-61(53)77(50-27-14-9-15-28-50)62-38-37-48(39-56(62)73)49-40-64-71-70(41-49)81-69-45-68-58(75(5,6)55-33-18-21-36-66(55)80-68)43-60(69)76(71)59-42-57-67(79-65-35-20-17-32-54(65)74(57,3)4)44-63(59)78(64)72-51(46-23-10-7-11-24-46)29-22-30-52(72)47-25-12-8-13-26-47/h7-45H,1-6H3.

What are the key properties of 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene?

19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene has a molecular weight of 1045.10 g/mol, XLogP of 18.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(9,9-dimethyl-10-phenylacridin-2-yl)-22-(2,6-diphenylphenyl)-5,5,33,33-tetramethyl-12,16,26-trioxa-22-aza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17,19,21(37),23,25(34),27,29,31,35-pentadecaene is sourced from PubChem (CID 172518469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).