7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole

C76H96B2N2O4 — CID 153472884

IUPAC7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(CCCCCC)c(B5OC(C)(C)C(C)(C)O5)cc4CCCCCC)ccc32)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C76H96B2N2O4/c1-13-17-21-25-34-56-51-70(58(36-27-23-19-15-3)49-64(56)77-81-73(5,6)74(7,8)82-77)79-66-40-32-31-39-61(66)62-47-54(42-44-67(62)79)55-43-45-68-63(48-55)72-60-38-30-29-33-53(60)41-46-69(72)80(68)71-52-57(35-26-22-18-14-2)65(50-59(71)37-28-24-20-16-4)78-83-75(9,10)76(11,12)84-78/h29-33,38-52H,13-28,34-37H2,1-12H3
InChIKeySLZLJNCHECFFJC-UHFFFAOYSA-N
MW1123.24 g/mol
LogP19.79
Rot. Bonds25

About 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole

7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole (PubChem CID 153472884) has the molecular formula C76H96B2N2O4 and a molecular weight of 1123.24 g/mol. Its IUPAC name is 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole
PubChem CID153472884
Molecular FormulaC76H96B2N2O4
Molecular Weight1123.24 g/mol
Exact Mass1122.76
IUPAC Name7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(CCCCCC)c(B5OC(C)(C)C(C)(C)O5)cc4CCCCCC)ccc32)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C76H96B2N2O4/c1-13-17-21-25-34-56-51-70(58(36-27-23-19-15-3)49-64(56)77-81-73(5,6)74(7,8)82-77)79-66-40-32-31-39-61(66)62-47-54(42-44-67(62)79)55-43-45-68-63(48-55)72-60-38-30-29-33-53(60)41-46-69(72)80(68)71-52-57(35-26-22-18-14-2)65(50-59(71)37-28-24-20-16-4)78-83-75(9,10)76(11,12)84-78/h29-33,38-52H,13-28,34-37H2,1-12H3
InChIKeySLZLJNCHECFFJC-UHFFFAOYSA-N
XLogP19.79
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.24
LogP ≤ 519.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole?
The IUPAC name of 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole (CID 153472884) is 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole?
The canonical SMILES for 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole is CCCCCCc1cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cc(CCCCCC)c(B5OC(C)(C)C(C)(C)O5)cc4CCCCCC)ccc32)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole?
The InChIKey is SLZLJNCHECFFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H96B2N2O4/c1-13-17-21-25-34-56-51-70(58(36-27-23-19-15-3)49-64(56)77-81-73(5,6)74(7,8)82-77)79-66-40-32-31-39-61(66)62-47-54(42-44-67(62)79)55-43-45-68-63(48-55)72-60-38-30-29-33-53(60)41-46-69(72)80(68)71-52-57(35-26-22-18-14-2)65(50-59(71)37-28-24-20-16-4)78-83-75(9,10)76(11,12)84-78/h29-33,38-52H,13-28,34-37H2,1-12H3.
What are the key properties of 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole?
7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole has a molecular weight of 1123.24 g/mol, XLogP of 19.79, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-10-[9-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 153472884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).