3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C93H86B3BrN4O6 — CID 158206965

IUPAC3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cn1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cn2)OC1(C)C
InChIInChI=1S/C43H35BN2O2.C37H23BrN2.C12H24B2O4.CH4/c1-42(2)43(3,4)48-44(47-42)39-25-23-29(27-45-39)41-34-19-10-8-17-32(34)40(33-18-9-11-20-35(33)41)28-22-24-38-36(26-28)31-16-12-13-21-37(31)46(38)30-14-6-5-7-15-30;38-35-21-19-25(23-39-35)37-30-15-6-4-13-28(30)36(29-14-5-7-16-31(29)37)24-18-20-34-32(22-24)27-12-8-9-17-33(27)40(34)26-10-2-1-3-11-26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;/h5-27H,1-4H3;1-23H;1-8H3;1H4
InChIKeyGBPOAEXXICSKHP-UHFFFAOYSA-N
MW1468.07 g/mol
LogP23.59
Rot. Bonds8

About 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158206965) has the molecular formula C93H86B3BrN4O6 and a molecular weight of 1468.07 g/mol. Its IUPAC name is 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID158206965
Molecular FormulaC93H86B3BrN4O6
Molecular Weight1468.07 g/mol
Exact Mass1466.60
IUPAC Name3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cn1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cn2)OC1(C)C
InChIInChI=1S/C43H35BN2O2.C37H23BrN2.C12H24B2O4.CH4/c1-42(2)43(3,4)48-44(47-42)39-25-23-29(27-45-39)41-34-19-10-8-17-32(34)40(33-18-9-11-20-35(33)41)28-22-24-38-36(26-28)31-16-12-13-21-37(31)46(38)30-14-6-5-7-15-30;38-35-21-19-25(23-39-35)37-30-15-6-4-13-28(30)36(29-14-5-7-16-31(29)37)24-18-20-34-32(22-24)27-12-8-9-17-33(27)40(34)26-10-2-1-3-11-26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;/h5-27H,1-4H3;1-23H;1-8H3;1H4
InChIKeyGBPOAEXXICSKHP-UHFFFAOYSA-N
XLogP23.59
TPSA91.02 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001468.07
LogP ≤ 523.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenyl-5-[3-(1-phenylindol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indole
CID 123253784
5,11-Diphenyl-2-(4-pyridin-4-ylphenyl)-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]carbazole
CID 123305055
3-[10-(6-Bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole
CID 142353598
9-Phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole
CID 142353638
4-(3-Bromophenyl)pyridine;ethane;7-phenyl-5,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrobenzo[c]carbazole
CID 144195951
5-Methyl-3,10-diphenyl-7-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-4,5-dihydropyrrolo[3,2-a]carbazole
CID 144569501
Ethane;1-phenyl-5-[3-(1-phenylindol-5-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]indole
CID 144941654
11-(3-Phenylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 145340504
2-(2-Methyl-4-pyridin-2-ylphenyl)-3-[3-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9-phenylcarbazole
CID 147691123
9-[4-[2,3-Diphenyl-4,5-bis(4-pyrido[3,4-b]indol-9-ylphenyl)-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]pyrido[3,4-b]indole
CID 149011642
9-[4-[2-(2,6-Dimethyl-3-pyridinyl)-4,5,6-tris[4-(3-methylcarbazol-9-yl)phenyl]-3-pyridin-3-ylphenyl]phenyl]-3-methylcarbazole
CID 152214784
3-Methyl-9-[4-[2,3,5-tris[4-(3-methylcarbazol-9-yl)phenyl]-6-(6-methyl-2-pyridinyl)-4-pyridin-4-ylphenyl]phenyl]carbazole
CID 152656922

Frequently Asked Questions

What is the IUPAC name of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158206965) is 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3ccccc23)cn1.C.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc34)cn2)OC1(C)C.
What is the InChIKey of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is GBPOAEXXICSKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35BN2O2.C37H23BrN2.C12H24B2O4.CH4/c1-42(2)43(3,4)48-44(47-42)39-25-23-29(27-45-39)41-34-19-10-8-17-32(34)40(33-18-9-11-20-35(33)41)28-22-24-38-36(26-28)31-16-12-13-21-37(31)46(38)30-14-6-5-7-15-30;38-35-21-19-25(23-39-35)37-30-15-6-4-13-28(30)36(29-14-5-7-16-31(29)37)24-18-20-34-32(22-24)27-12-8-9-17-33(27)40(34)26-10-2-1-3-11-26;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;/h5-27H,1-4H3;1-23H;1-8H3;1H4.
What are the key properties of 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1468.07 g/mol, XLogP of 23.59, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(6-bromo-3-pyridinyl)anthracen-9-yl]-9-phenylcarbazole;methane;9-phenyl-3-[10-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]anthracen-9-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158206965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).