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

C44H43B2NO4 — CID 67951631

IUPAC7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole
SMILESCC1(C)OB(c2ccc(-c3ccc4c5c6ccccc6c(B6OC(C)(C)C(C)(C)O6)cc5n(-c5ccccc5)c4c3)c3ccccc23)OC1(C)C
InChIInChI=1S/C44H43B2NO4/c1-41(2)42(3,4)49-45(48-41)36-25-24-30(31-18-12-13-19-32(31)36)28-22-23-35-38(26-28)47(29-16-10-9-11-17-29)39-27-37(33-20-14-15-21-34(33)40(35)39)46-50-43(5,6)44(7,8)51-46/h9-27H,1-8H3
InChIKeyNSLVYKAOZHQLRF-UHFFFAOYSA-N
MW671.46 g/mol
LogP9.36
Rot. Bonds4

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

7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole (PubChem CID 67951631) has the molecular formula C44H43B2NO4 and a molecular weight of 671.46 g/mol. Its IUPAC name is 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole
PubChem CID67951631
Molecular FormulaC44H43B2NO4
Molecular Weight671.46 g/mol
Exact Mass671.34
IUPAC Name7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole
SMILESCC1(C)OB(c2ccc(-c3ccc4c5c6ccccc6c(B6OC(C)(C)C(C)(C)O6)cc5n(-c5ccccc5)c4c3)c3ccccc23)OC1(C)C
InChIInChI=1S/C44H43B2NO4/c1-41(2)42(3,4)49-45(48-41)36-25-24-30(31-18-12-13-19-32(31)36)28-22-23-35-38(26-28)47(29-16-10-9-11-17-29)39-27-37(33-20-14-15-21-34(33)40(35)39)46-50-43(5,6)44(7,8)51-46/h9-27H,1-8H3
InChIKeyNSLVYKAOZHQLRF-UHFFFAOYSA-N
XLogP9.36
TPSA41.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.46
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole?
The IUPAC name of 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole (CID 67951631) is 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole.
What is the SMILES notation for 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole?
The canonical SMILES for 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole is CC1(C)OB(c2ccc(-c3ccc4c5c6ccccc6c(B6OC(C)(C)C(C)(C)O6)cc5n(-c5ccccc5)c4c3)c3ccccc23)OC1(C)C.
What is the InChIKey of 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole?
The InChIKey is NSLVYKAOZHQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43B2NO4/c1-41(2)42(3,4)49-45(48-41)36-25-24-30(31-18-12-13-19-32(31)36)28-22-23-35-38(26-28)47(29-16-10-9-11-17-29)39-27-37(33-20-14-15-21-34(33)40(35)39)46-50-43(5,6)44(7,8)51-46/h9-27H,1-8H3.
What are the key properties of 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole?
7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole has a molecular weight of 671.46 g/mol, XLogP of 9.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]benzo[c]carbazole is sourced from PubChem (CID 67951631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).