13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene

C72H52B2N4 — CID 171599814

About 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene

13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene (PubChem CID 171599814) has the molecular formula C72H52B2N4 and a molecular weight of 994.86 g/mol. Its IUPAC name is 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene.

Molecular Properties

• Compound Name: 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene
• PubChem CID: 171599814
• Molecular Formula: C72H52B2N4
• Molecular Weight: 994.86 g/mol
• Exact Mass: 994.44
• IUPAC Name: 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene
• SMILES: Cc1cc(C)c(B2c3cc(-n4c5ccccc5c5ccccc54)ccc3-c3c4c5ccccc5n5c4c(c4c6ccccc6n2c34)-c2ccc(-n3c4ccccc4c4ccccc43)cc2B5c2c(C)cc(C)cc2C)c(C)c1
• InChI: InChI=1S/C72H52B2N4/c1-41-35-43(3)69(44(4)36-41)73-57-39-47(75-59-25-13-7-19-49(59)50-20-8-14-26-60(50)75)31-33-53(57)65-68-56-24-12-18-30-64(56)78-72(68)66(67-55-23-11-17-29-63(55)77(73)71(65)67)54-34-32-48(40-58(54)74(78)70-45(5)37-42(2)38-46(70)6)76-61-27-15-9-21-51(61)52-22-10-16-28-62(52)76/h7-40H,1-6H3
• InChIKey: GXSBAIBNCXBCOR-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	994.86
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene?

The IUPAC name of 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene (CID 171599814) is 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene.

What is the SMILES notation for 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene?

The canonical SMILES for 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene is Cc1cc(C)c(B2c3cc(-n4c5ccccc5c5ccccc54)ccc3-c3c4c5ccccc5n5c4c(c4c6ccccc6n2c34)-c2ccc(-n3c4ccccc4c4ccccc43)cc2B5c2c(C)cc(C)cc2C)c(C)c1.

What is the InChIKey of 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene?

The InChIKey is GXSBAIBNCXBCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52B2N4/c1-41-35-43(3)69(44(4)36-41)73-57-39-47(75-59-25-13-7-19-49(59)50-20-8-14-26-60(50)75)31-33-53(57)65-68-56-24-12-18-30-64(56)78-72(68)66(67-55-23-11-17-29-63(55)77(73)71(65)67)54-34-32-48(40-58(54)74(78)70-45(5)37-42(2)38-46(70)6)76-61-27-15-9-21-51(61)52-22-10-16-28-62(52)76/h7-40H,1-6H3.

What are the key properties of 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene?

13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene has a molecular weight of 994.86 g/mol, XLogP of 15.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 13,29-di(carbazol-9-yl)-10,26-bis(2,4,6-trimethylphenyl)-9,25-diaza-10,26-diboranonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3,5,7,11(16),12,14,17(34),18(33),19,21,23,27(32),28,30-pentadecaene is sourced from PubChem (CID 171599814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).