9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

C38H42B2N2O4 — CID 58620849

IUPAC9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCn1c2ccc(B3OC(C)(C)C(C)(C)O3)cc2c2cc(-c3ccc4c(c3)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3n4C)ccc21
InChIInChI=1S/C38H42B2N2O4/c1-35(2)36(3,4)44-39(43-35)25-13-17-33-29(21-25)27-19-23(11-15-31(27)41(33)9)24-12-16-32-28(20-24)30-22-26(14-18-34(30)42(32)10)40-45-37(5,6)38(7,8)46-40/h11-22H,1-10H3
InChIKeyQKSPTBGRWGKMOB-UHFFFAOYSA-N
MW612.39 g/mol
LogP7.24
Rot. Bonds3

About 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (PubChem CID 58620849) has the molecular formula C38H42B2N2O4 and a molecular weight of 612.39 g/mol. Its IUPAC name is 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.

Molecular Properties

Compound Name9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
PubChem CID58620849
Molecular FormulaC38H42B2N2O4
Molecular Weight612.39 g/mol
Exact Mass612.33
IUPAC Name9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
SMILESCn1c2ccc(B3OC(C)(C)C(C)(C)O3)cc2c2cc(-c3ccc4c(c3)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3n4C)ccc21
InChIInChI=1S/C38H42B2N2O4/c1-35(2)36(3,4)44-39(43-35)25-13-17-33-29(21-25)27-19-23(11-15-31(27)41(33)9)24-12-16-32-28(20-24)30-22-26(14-18-34(30)42(32)10)40-45-37(5,6)38(7,8)46-40/h11-22H,1-10H3
InChIKeyQKSPTBGRWGKMOB-UHFFFAOYSA-N
XLogP7.24
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.39
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

9-n-Octyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 11318555
9-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole
CID 11850073
9-Phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 12177223
9,9'-Diethyl-9H,9'H-3,3'-bicarbazole
CID 12218945
9-(Heptadecan-9-yl)-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 51341870
9-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 56924967
9-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-9H-carbazole
CID 58690899
4,4'-Bis(3,6-di-tert-butyl-9h-carbazol-9-yl)-1,1'-biphenyl
CID 59399845
9-(2-Ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole
CID 68026140
9,9',9''-Triphenyl-9H,9'H,9''H-3,3':6',3''-tercarbazole
CID 68185634
9-Ethyl-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-9H-carbazole
CID 71306544
Benzenamine, 4,4'-[(9-butyl-9H-carbazol-3-yl)methylene]bis[N-methyl-N-phenyl-
CID 163148

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The IUPAC name of 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole (CID 58620849) is 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole.
What is the SMILES notation for 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The canonical SMILES for 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is Cn1c2ccc(B3OC(C)(C)C(C)(C)O3)cc2c2cc(-c3ccc4c(c3)c3cc(B5OC(C)(C)C(C)(C)O5)ccc3n4C)ccc21.
What is the InChIKey of 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
The InChIKey is QKSPTBGRWGKMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42B2N2O4/c1-35(2)36(3,4)44-39(43-35)25-13-17-33-29(21-25)27-19-23(11-15-31(27)41(33)9)24-12-16-32-28(20-24)30-22-26(14-18-34(30)42(32)10)40-45-37(5,6)38(7,8)46-40/h11-22H,1-10H3.
What are the key properties of 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole?
9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole has a molecular weight of 612.39 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[9-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-3-yl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole is sourced from PubChem (CID 58620849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).