18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene

About 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene

18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene (PubChem CID 174114406) has the molecular formula C61H54BN3 and a molecular weight of 839.94 g/mol. Its IUPAC name is 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene.

Molecular Properties

Compound Name	18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene
PubChem CID	174114406
Molecular Formula	C61H54BN3
Molecular Weight	839.94 g/mol
Exact Mass	839.44
IUPAC Name	18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene
SMILES	CCCCCc1ccc(N2B3c4cc(CCCCC)ccc4-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cc(c3c54)-c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1
InChI	InChI=1S/C61H54BN3/c1-5-7-9-19-39-29-32-41(33-30-39)65-56-38-50-46(42-21-11-15-25-49(42)61(50,3)4)36-47(56)48-37-57(63-52-26-16-12-22-43(52)44-23-13-17-27-53(44)63)58-45-24-14-18-28-54(45)64-55-34-31-40(20-10-8-6-2)35-51(55)62(65)59(48)60(58)64/h11-18,21-38H,5-10,19-20H2,1-4H3
InChIKey	ZWJBCXWMEVIJQL-UHFFFAOYSA-N
XLogP	14.89
TPSA	13.10 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	10
Heavy Atoms	65
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.94
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The IUPAC name of 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene (CID 174114406) is 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene.

What is the SMILES notation for 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The canonical SMILES for 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene is CCCCCc1ccc(N2B3c4cc(CCCCC)ccc4-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)cc(c3c54)-c3cc4c(cc32)C(C)(C)c2ccccc2-4)cc1.

What is the InChIKey of 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

The InChIKey is ZWJBCXWMEVIJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54BN3/c1-5-7-9-19-39-29-32-41(33-30-39)65-56-38-50-46(42-21-11-15-25-49(42)61(50,3)4)36-47(56)48-37-57(63-52-26-16-12-22-43(52)44-23-13-17-27-53(44)63)58-45-24-14-18-28-54(45)64-55-34-31-40(20-10-8-6-2)35-51(55)62(65)59(48)60(58)64/h11-18,21-38H,5-10,19-20H2,1-4H3.

What are the key properties of 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene?

18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene has a molecular weight of 839.94 g/mol, XLogP of 14.89, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18-carbazol-9-yl-6,6-dimethyl-30-pentyl-2-(4-pentylphenyl)-2,26-diaza-1-boranonacyclo[17.13.2.03,15.05,13.07,12.016,33.020,25.026,34.027,32]tetratriaconta-3(15),4,7,9,11,13,16,18,20,22,24,27(32),28,30,33-pentadecaene is sourced from PubChem (CID 174114406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).