34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene

C64H48BN3 — CID 176826128

About 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene

34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene (PubChem CID 176826128) has the molecular formula C64H48BN3 and a molecular weight of 869.92 g/mol. Its IUPAC name is 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene.

Molecular Properties

• Compound Name: 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene
• PubChem CID: 176826128
• Molecular Formula: C64H48BN3
• Molecular Weight: 869.92 g/mol
• Exact Mass: 869.39
• IUPAC Name: 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene
• SMILES: CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4c2cc(-n2c5ccccc5c5c6ccccc6ccc52)cc4-n2c4ccc5cccc6c5c4c4c(ccc3c42)-c2ccccc2-6)cc1
• InChI: InChI=1S/C64H48BN3/c1-63(2,3)39-24-27-41(28-25-39)66-52-33-26-40(64(4,5)6)34-50(52)65-49-30-29-47-45-18-10-9-17-44(45)46-20-13-15-38-23-32-54-60(57(38)46)59(47)62(49)68(54)56-36-42(35-55(66)61(56)65)67-51-21-12-11-19-48(51)58-43-16-8-7-14-37(43)22-31-53(58)67/h7-36H,1-6H3
• InChIKey: VLCMWYCSNHYCEB-UHFFFAOYSA-N
• XLogP: 15.04
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.92
LogP ≤ 5	15.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene?

The IUPAC name of 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene (CID 176826128) is 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene.

What is the SMILES notation for 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene?

The canonical SMILES for 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene is CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4c2cc(-n2c5ccccc5c5c6ccccc6ccc52)cc4-n2c4ccc5cccc6c5c4c4c(ccc3c42)-c2ccccc2-6)cc1.

What is the InChIKey of 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene?

The InChIKey is VLCMWYCSNHYCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48BN3/c1-63(2,3)39-24-27-41(28-25-39)66-52-33-26-40(64(4,5)6)34-50(52)65-49-30-29-47-45-18-10-9-17-44(45)46-20-13-15-38-23-32-54-60(57(38)46)59(47)62(49)68(54)56-36-42(35-55(66)61(56)65)67-51-21-12-11-19-48(51)58-43-16-8-7-14-37(43)22-31-53(58)67/h7-36H,1-6H3.

What are the key properties of 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene?

34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene has a molecular weight of 869.92 g/mol, XLogP of 15.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 34-benzo[c]carbazol-7-yl-27-tert-butyl-31-(4-tert-butylphenyl)-2,31-diaza-24-boradecacyclo[22.11.1.15,9.02,6.03,23.04,20.014,19.025,30.032,36.013,37]heptatriaconta-1(36),3(23),4(20),5,7,9(37),10,12,14,16,18,21,25(30),26,28,32,34-heptadecaene is sourced from PubChem (CID 176826128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).