14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine

C68H46B2N2 — CID 174153328

About 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine

14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine (PubChem CID 174153328) has the molecular formula C68H46B2N2 and a molecular weight of 912.75 g/mol. Its IUPAC name is 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine.

Molecular Properties

• Compound Name: 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine
• PubChem CID: 174153328
• Molecular Formula: C68H46B2N2
• Molecular Weight: 912.75 g/mol
• Exact Mass: 912.38
• IUPAC Name: 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine
• SMILES: Cc1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1cc2c(C)cc4c5c(cc6c(C)cc-3c1c6c25)B1c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc(C)cc-4c21
• InChI: InChI=1S/C68H46B2N2/c1-39-25-27-59-51(29-39)57-35-48(72(45-21-13-7-14-22-45)46-23-15-8-16-24-46)36-58-54-33-42(4)50-37-61-63-53(32-41(3)49-38-62(69(59)68(57)58)64(54)66(50)65(49)63)56-31-40(2)30-55-52-34-47(26-28-60(52)70(61)67(55)56)71(43-17-9-5-10-18-43)44-19-11-6-12-20-44/h5-38H,1-4H3
• InChIKey: WYCQQMZJIUJMTE-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.75
LogP ≤ 5	13.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine?

The IUPAC name of 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine (CID 174153328) is 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine.

What is the SMILES notation for 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine?

The canonical SMILES for 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine is Cc1ccc2c(c1)-c1cc(N(c3ccccc3)c3ccccc3)cc3c1B2c1cc2c(C)cc4c5c(cc6c(C)cc-3c1c6c25)B1c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc(C)cc-4c21.

What is the InChIKey of 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine?

The InChIKey is WYCQQMZJIUJMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46B2N2/c1-39-25-27-59-51(29-39)57-35-48(72(45-21-13-7-14-22-45)46-23-15-8-16-24-46)36-58-54-33-42(4)50-37-61-63-53(32-41(3)49-38-62(69(59)68(57)58)64(54)66(50)65(49)63)56-31-40(2)30-55-52-34-47(26-28-60(52)70(61)67(55)56)71(43-17-9-5-10-18-43)44-19-11-6-12-20-44/h5-38H,1-4H3.

What are the key properties of 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine?

14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine has a molecular weight of 912.75 g/mol, XLogP of 13.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 14,19,27,37-tetramethyl-9-N,9-N,32-N,32-N-tetraphenyl-5,23-diboradodecacyclo[20.16.1.14,38.15,12.123,30.02,20.03,17.06,11.024,29.035,39.016,42.034,41]dotetraconta-1(38),2(20),3(17),4(40),6(11),7,9,12,14,16(42),18,21,24(29),25,27,30(41),31,33,35(39),36-icosaene-9,32-diamine is sourced from PubChem (CID 174153328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).