5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole

C126H142B2Br4N4O4 — CID 157069896

IUPAC5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(B4OC(C)(C)C(C)(C)O4)cc32)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1-n1c2ccccc2c2cc(Br)ccc21.CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1Br
InChIInChI=1S/C46H61B2NO4.C46H44Br2N2.C34H37Br2N/c1-11-13-15-17-23-32-30-40(33(24-18-16-14-12-2)29-37(32)47-50-43(3,4)44(5,6)51-47)49-39-28-22-21-27-36(39)42-35-26-20-19-25-34(35)38(31-41(42)49)48-52-45(7,8)46(9,10)53-48;1-3-5-7-9-17-31-28-44(50-41-24-16-14-22-37(41)46-36-21-12-11-19-34(36)39(48)30-45(46)50)32(18-10-8-6-4-2)27-43(31)49-40-23-15-13-20-35(40)38-29-33(47)25-26-42(38)49;1-3-5-7-9-15-24-22-32(25(21-29(24)35)16-10-8-6-4-2)37-31-20-14-13-19-28(31)34-27-18-12-11-17-26(27)30(36)23-33(34)37/h19-22,25-31H,11-18,23-24H2,1-10H3;11-16,19-30H,3-10,17-18H2,1-2H3;11-14,17-23H,3-10,15-16H2,1-2H3
InChIKeyACHOCCNEJPYPKM-UHFFFAOYSA-N
MW2117.79 g/mol
LogP37.29
Rot. Bonds36

About 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole

5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole (PubChem CID 157069896) has the molecular formula C126H142B2Br4N4O4 and a molecular weight of 2117.79 g/mol. Its IUPAC name is 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
PubChem CID157069896
Molecular FormulaC126H142B2Br4N4O4
Molecular Weight2117.79 g/mol
Exact Mass2112.80
IUPAC Name5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
SMILESCCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(B4OC(C)(C)C(C)(C)O4)cc32)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1-n1c2ccccc2c2cc(Br)ccc21.CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1Br
InChIInChI=1S/C46H61B2NO4.C46H44Br2N2.C34H37Br2N/c1-11-13-15-17-23-32-30-40(33(24-18-16-14-12-2)29-37(32)47-50-43(3,4)44(5,6)51-47)49-39-28-22-21-27-36(39)42-35-26-20-19-25-34(35)38(31-41(42)49)48-52-45(7,8)46(9,10)53-48;1-3-5-7-9-17-31-28-44(50-41-24-16-14-22-37(41)46-36-21-12-11-19-34(36)39(48)30-45(46)50)32(18-10-8-6-4-2)27-43(31)49-40-23-15-13-20-35(40)38-29-33(47)25-26-42(38)49;1-3-5-7-9-15-24-22-32(25(21-29(24)35)16-10-8-6-4-2)37-31-20-14-13-19-28(31)34-27-18-12-11-17-26(27)30(36)23-33(34)37/h19-22,25-31H,11-18,23-24H2,1-10H3;11-16,19-30H,3-10,17-18H2,1-2H3;11-14,17-23H,3-10,15-16H2,1-2H3
InChIKeyACHOCCNEJPYPKM-UHFFFAOYSA-N
XLogP37.29
TPSA56.64 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002117.79
LogP ≤ 537.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole 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

4-Bromo-15-phenyl-9-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 90132671
9,10-Bis(4-bromophenyl)-2-methylanthracene;3-[4-[2-methyl-10-[4-(9-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-9-phenylcarbazole;(9-phenylcarbazol-3-yl)boronic acid
CID 90808660
10-Bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
CID 142373851
7-(4-Bromo-2-hexyl-5-methylphenyl)-10-[7-(4-bromo-5-hexyl-2-methylphenyl)benzo[c]carbazol-10-yl]benzo[c]carbazole
CID 142373853
10-Bromo-7-(4-bromo-5-hexyl-2-methylphenyl)-3-[[2-[7-[5-hexyl-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[c]carbazol-10-yl]-4,5,5-trimethyl-1,3,2-dioxaborolan-4-yl]methyl]benzo[c]carbazole
CID 142373855
5-Bromo-7-[4-(3-bromocarbazol-9-yl)-5-hexyl-2-methylphenyl]benzo[c]carbazole
CID 142373865
7-[5-Hexyl-2-methyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 142373882
7-(4-Bromo-5-hexyl-2-methylphenyl)-10-[9-(4-bromo-2-hexyl-5-methylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 142373888
9-(8-Bromo-6,11-dihydrotetracen-2-yl)-3,6-di(carbazol-9-yl)carbazole
CID 153411237
7-(4-Bromo-2,5-dihexylphenyl)-5-[9-(4-bromo-2,5-dihexylphenyl)carbazol-3-yl]benzo[c]carbazole
CID 153472880
7-[2,5-Dihexyl-4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-9-yl]phenyl]-10-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole
CID 153472883
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The IUPAC name of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole (CID 157069896) is 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole.
What is the SMILES notation for 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The canonical SMILES for 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole is CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(B4OC(C)(C)C(C)(C)O4)cc32)c(CCCCCC)cc1B1OC(C)(C)C(C)(C)O1.CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1-n1c2ccccc2c2cc(Br)ccc21.CCCCCCc1cc(-n2c3ccccc3c3c4ccccc4c(Br)cc32)c(CCCCCC)cc1Br.
What is the InChIKey of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
The InChIKey is ACHOCCNEJPYPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H61B2NO4.C46H44Br2N2.C34H37Br2N/c1-11-13-15-17-23-32-30-40(33(24-18-16-14-12-2)29-37(32)47-50-43(3,4)44(5,6)51-47)49-39-28-22-21-27-36(39)42-35-26-20-19-25-34(35)38(31-41(42)49)48-52-45(7,8)46(9,10)53-48;1-3-5-7-9-17-31-28-44(50-41-24-16-14-22-37(41)46-36-21-12-11-19-34(36)39(48)30-45(46)50)32(18-10-8-6-4-2)27-43(31)49-40-23-15-13-20-35(40)38-29-33(47)25-26-42(38)49;1-3-5-7-9-15-24-22-32(25(21-29(24)35)16-10-8-6-4-2)37-31-20-14-13-19-28(31)34-27-18-12-11-17-26(27)30(36)23-33(34)37/h19-22,25-31H,11-18,23-24H2,1-10H3;11-16,19-30H,3-10,17-18H2,1-2H3;11-14,17-23H,3-10,15-16H2,1-2H3.
What are the key properties of 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole?
5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole has a molecular weight of 2117.79 g/mol, XLogP of 37.29, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[4-(3-bromocarbazol-9-yl)-2,5-dihexylphenyl]benzo[c]carbazole;5-bromo-7-(4-bromo-2,5-dihexylphenyl)benzo[c]carbazole;7-[2,5-dihexyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c]carbazole is sourced from PubChem (CID 157069896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).