3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine

C73H70B2N6O4 — CID 164737717

IUPAC3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
SMILESCc1ccc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccc3c(c2)c2cc(N(c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)c4ccc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1
InChIInChI=1S/C73H70B2N6O4/c1-47-26-38-63(49(3)42-47)79(56-32-28-54(29-33-56)74-82-70(5,6)71(7,8)83-74)59-36-40-65-61(45-59)62-46-60(80(64-39-27-48(2)43-50(64)4)57-34-30-55(31-35-57)75-84-72(9,10)73(11,12)85-75)37-41-66(62)81(65)58-25-19-24-53(44-58)69-77-67(51-20-15-13-16-21-51)76-68(78-69)52-22-17-14-18-23-52/h13-46H,1-12H3
InChIKeyZQIVKKZAVJYKHO-UHFFFAOYSA-N
MW1117.02 g/mol
LogP16.74
Rot. Bonds12

About 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine

3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine (PubChem CID 164737717) has the molecular formula C73H70B2N6O4 and a molecular weight of 1117.02 g/mol. Its IUPAC name is 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
PubChem CID164737717
Molecular FormulaC73H70B2N6O4
Molecular Weight1117.02 g/mol
Exact Mass1116.56
IUPAC Name3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
SMILESCc1ccc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccc3c(c2)c2cc(N(c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)c4ccc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1
InChIInChI=1S/C73H70B2N6O4/c1-47-26-38-63(49(3)42-47)79(56-32-28-54(29-33-56)74-82-70(5,6)71(7,8)83-74)59-36-40-65-61(45-59)62-46-60(80(64-39-27-48(2)43-50(64)4)57-34-30-55(31-35-57)75-84-72(9,10)73(11,12)85-75)37-41-66(62)81(65)58-25-19-24-53(44-58)69-77-67(51-20-15-13-16-21-51)76-68(78-69)52-22-17-14-18-23-52/h13-46H,1-12H3
InChIKeyZQIVKKZAVJYKHO-UHFFFAOYSA-N
XLogP16.74
TPSA87.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001117.02
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine with MolForge

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Related Compounds

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 90211166
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 145257430
3-N,6-N-bis(4-fluorophenyl)-9-phenyl-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine
CID 164737736
9-[3-[4-phenyl-6-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147372231
1-bromo-3-(3-bromophenyl)benzene;3,6-dibromo-9-phenylcarbazole;9-phenyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;2-phenyl-4,6-bis[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159669749
3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole;2,4,6-tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 159727962
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dimethylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630106
9-phenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazol-3-amine
CID 170690267
N,N-diphenyl-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]aniline
CID 144830993
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-methylphenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 118630101
N-phenyl-N-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]naphthalen-1-amine
CID 163991812
2-phenanthren-9-yl-4-phenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
CID 140796996

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine?
The IUPAC name of 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine (CID 164737717) is 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine.
What is the SMILES notation for 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine?
The canonical SMILES for 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine is Cc1ccc(N(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c2ccc3c(c2)c2cc(N(c4ccc(B5OC(C)(C)C(C)(C)O5)cc4)c4ccc(C)cc4C)ccc2n3-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c(C)c1.
What is the InChIKey of 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine?
The InChIKey is ZQIVKKZAVJYKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H70B2N6O4/c1-47-26-38-63(49(3)42-47)79(56-32-28-54(29-33-56)74-82-70(5,6)71(7,8)83-74)59-36-40-65-61(45-59)62-46-60(80(64-39-27-48(2)43-50(64)4)57-34-30-55(31-35-57)75-84-72(9,10)73(11,12)85-75)37-41-66(62)81(65)58-25-19-24-53(44-58)69-77-67(51-20-15-13-16-21-51)76-68(78-69)52-22-17-14-18-23-52/h13-46H,1-12H3.
What are the key properties of 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine?
3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine has a molecular weight of 1117.02 g/mol, XLogP of 16.74, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-bis(2,4-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,6-N-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3,6-diamine is sourced from PubChem (CID 164737717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).