9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

C180H130B4N14 — CID 163974291

About 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine

9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (PubChem CID 163974291) has the molecular formula C180H130B4N14 and a molecular weight of 2532.37 g/mol. Its IUPAC name is 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

Molecular Properties

• Compound Name: 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• PubChem CID: 163974291
• Molecular Formula: C180H130B4N14
• Molecular Weight: 2532.37 g/mol
• Exact Mass: 2531.10
• IUPAC Name: 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine
• SMILES: CC1(C)c2ccccc2N(c2ccc3c(c2)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc3c(cc2N4c2ccccc2)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2)c2ccccc21.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccc(N4CCCc6ccccc64)cc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c32)N5c2ccccc2)cc1
• InChI: InChI=1S/C93H67B2N7.C87H63B2N7/c1-93(2)75-49-27-30-52-81(75)102(82-53-31-28-50-76(82)93)72-55-56-78-84(57-72)99(69-43-21-8-22-44-69)88-59-74(97(66-37-15-5-16-38-66)67-39-17-6-18-40-67)61-90-92(88)95(78)80-62-79-85(63-86(80)101(90)71-47-25-10-26-48-71)100(70-45-23-9-24-46-70)89-60-73(96(64-33-11-3-12-34-64)65-35-13-4-14-36-65)58-87-91(89)94(79)77-51-29-32-54-83(77)98(87)68-41-19-7-20-42-68;1-9-32-62(33-10-1)91(63-34-11-2-12-35-63)71-55-82-86-84(57-71)95(68-44-21-7-22-45-68)80-60-81-76(59-75(80)88(86)73-48-26-28-50-78(73)93(82)66-40-17-5-18-41-66)89-74-52-51-70(90-53-29-31-61-30-25-27-49-77(61)90)54-79(74)94(67-42-19-6-20-43-67)83-56-72(58-85(87(83)89)96(81)69-46-23-8-24-47-69)92(64-36-13-3-14-37-64)65-38-15-4-16-39-65/h3-63H,1-2H3;1-28,30,32-52,54-60H,29,31,53H2
• InChIKey: SSSJMGNBWCUQCS-UHFFFAOYSA-N
• XLogP: 39.78
• TPSA: 45.36 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2532.37
LogP ≤ 5	39.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The IUPAC name of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine (CID 163974291) is 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine.

What is the SMILES notation for 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The canonical SMILES for 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is CC1(C)c2ccccc2N(c2ccc3c(c2)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2cc3c(cc2N4c2ccccc2)N(c2ccccc2)c2cc(N(c4ccccc4)c4ccccc4)cc4c2B3c2ccccc2N4c2ccccc2)c2ccccc21.c1ccc(N(c2ccccc2)c2cc3c4c(c2)N(c2ccccc2)c2cc5c(cc2B4c2ccccc2N3c2ccccc2)B2c3ccc(N4CCCc6ccccc64)cc3N(c3ccccc3)c3cc(N(c4ccccc4)c4ccccc4)cc(c32)N5c2ccccc2)cc1.

What is the InChIKey of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

The InChIKey is SSSJMGNBWCUQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H67B2N7.C87H63B2N7/c1-93(2)75-49-27-30-52-81(75)102(82-53-31-28-50-76(82)93)72-55-56-78-84(57-72)99(69-43-21-8-22-44-69)88-59-74(97(66-37-15-5-16-38-66)67-39-17-6-18-40-67)61-90-92(88)95(78)80-62-79-85(63-86(80)101(90)71-47-25-10-26-48-71)100(70-45-23-9-24-46-70)89-60-73(96(64-33-11-3-12-34-64)65-35-13-4-14-36-65)58-87-91(89)94(79)77-51-29-32-54-83(77)98(87)68-41-19-7-20-42-68;1-9-32-62(33-10-1)91(63-34-11-2-12-35-63)71-55-82-86-84(57-71)95(68-44-21-7-22-45-68)80-60-81-76(59-75(80)88(86)73-48-26-28-50-78(73)93(82)66-40-17-5-18-41-66)89-74-52-51-70(90-53-29-31-61-30-25-27-49-77(61)90)54-79(74)94(67-42-19-6-20-43-67)83-56-72(58-85(87(83)89)96(81)69-46-23-8-24-47-69)92(64-36-13-3-14-37-64)65-38-15-4-16-39-65/h3-63H,1-2H3;1-28,30,32-52,54-60H,29,31,53H2.

What are the key properties of 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine?

9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine has a molecular weight of 2532.37 g/mol, XLogP of 39.78, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3,4-dihydro-2H-quinolin-1-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine;9-(9,9-dimethylacridin-10-yl)-15-N,15-N,25-N,25-N,12,18,22,28-octakis-phenyl-12,18,22,28-tetraza-1,5-diboranonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2,4(19),6(11),7,9,13(36),14,16,20,23,25,27(35),29,31,33-pentadecaene-15,25-diamine is sourced from PubChem (CID 163974291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).