bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole

C125H103BN12 — CID 159838024

IUPACbis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
SMILESC=Cc1cc(C)c(B(c2c(C)cccc2C)c2c(C)cccc2C)c(C)c1.C=Cc1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)cc2)cc1.C=Cc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3ccccc23)cc1.C=Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C41H26N6.C32H29N3.C26H29B.C26H19N3/c1-2-26-23-24-38-32(25-26)31-17-7-12-22-37(31)47(38)41-43-39(45-33-18-8-3-13-27(33)28-14-4-9-19-34(28)45)42-40(44-41)46-35-20-10-5-15-29(35)30-16-6-11-21-36(30)46;1-5-23-11-13-24(14-12-23)25-15-17-26(18-16-25)30-33-34-31(35(30)29-9-7-6-8-10-29)27-19-21-28(22-20-27)32(2,3)4;1-8-23-15-21(6)26(22(7)16-23)27(24-17(2)11-9-12-18(24)3)25-19(4)13-10-14-20(25)5;1-2-19-15-17-22(18-16-19)26-28-27-25(21-10-4-3-5-11-21)29(26)24-14-8-12-20-9-6-7-13-23(20)24/h2-25H,1H2;5-22H,1H2,2-4H3;8-16H,1H2,2-7H3;2-18H,1H2
InChIKeyNOIFZYQWIMLAKW-UHFFFAOYSA-N
MW1784.09 g/mol
LogP29.11
Rot. Bonds17

About bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole

bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole (PubChem CID 159838024) has the molecular formula C125H103BN12 and a molecular weight of 1784.09 g/mol. Its IUPAC name is bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole.

Molecular Properties

Compound Namebis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
PubChem CID159838024
Molecular FormulaC125H103BN12
Molecular Weight1784.09 g/mol
Exact Mass1782.85
IUPAC Namebis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
SMILESC=Cc1cc(C)c(B(c2c(C)cccc2C)c2c(C)cccc2C)c(C)c1.C=Cc1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)cc2)cc1.C=Cc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3ccccc23)cc1.C=Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C41H26N6.C32H29N3.C26H29B.C26H19N3/c1-2-26-23-24-38-32(25-26)31-17-7-12-22-37(31)47(38)41-43-39(45-33-18-8-3-13-27(33)28-14-4-9-19-34(28)45)42-40(44-41)46-35-20-10-5-15-29(35)30-16-6-11-21-36(30)46;1-5-23-11-13-24(14-12-23)25-15-17-26(18-16-25)30-33-34-31(35(30)29-9-7-6-8-10-29)27-19-21-28(22-20-27)32(2,3)4;1-8-23-15-21(6)26(22(7)16-23)27(24-17(2)11-9-12-18(24)3)25-19(4)13-10-14-20(25)5;1-2-19-15-17-22(18-16-19)26-28-27-25(21-10-4-3-5-11-21)29(26)24-14-8-12-20-9-6-7-13-23(20)24/h2-25H,1H2;5-22H,1H2,2-4H3;8-16H,1H2,2-7H3;2-18H,1H2
InChIKeyNOIFZYQWIMLAKW-UHFFFAOYSA-N
XLogP29.11
TPSA114.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001784.09
LogP ≤ 529.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole with MolForge

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Related Compounds

2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine;9-[4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-ethenylcarbazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole
CID 161454342
9-[3-[9-(4-tert-butylphenyl)carbazol-3-yl]-5-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-3-naphthalen-2-yl-6-phenylcarbazole
CID 122472162
3-ethenyl-9-(4-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 139518160
3-(4-tert-butylphenyl)-4-(4-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 20594887
1-methylnaphthalene;1-methyl-4-phenylbenzene;3-(4-methylphenyl)-9-phenylcarbazole
CID 144578962
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
CID 157105979
CID 157105979
9-[4-(4-tert-butylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-carbazol-9-ylcarbazole
CID 118053607
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
9-[4-(4-tert-butylphenyl)phenyl]-2-(4-methylphenyl)-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 170073064
3-[9-[3-[3-(4-tert-butylphenyl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 167259635
9-[4-[2-[2-[4-(4-tert-butyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-[4-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-[4-(4-naphthalen-1-yl-5-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-[4-(4-naphthalen-2-yl-5-phenyl-1,2,4-triazol-3-yl)phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-[4-[5-phenyl-4-(2-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-[4-[5-phenyl-4-(3-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]phenyl]carbazole;9-[4-[2-[2-[4-[5-phenyl-4-(4-phenylphenyl)-1,2,4-triazol-3-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 160847736

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
The IUPAC name of bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole (CID 159838024) is bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole.
What is the SMILES notation for bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
The canonical SMILES for bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole is C=Cc1cc(C)c(B(c2c(C)cccc2C)c2c(C)cccc2C)c(C)c1.C=Cc1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)n3-c3ccccc3)cc2)cc1.C=Cc1ccc(-c2nnc(-c3ccccc3)n2-c2cccc3ccccc23)cc1.C=Cc1ccc2c(c1)c1ccccc1n2-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
The InChIKey is NOIFZYQWIMLAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N6.C32H29N3.C26H29B.C26H19N3/c1-2-26-23-24-38-32(25-26)31-17-7-12-22-37(31)47(38)41-43-39(45-33-18-8-3-13-27(33)28-14-4-9-19-34(28)45)42-40(44-41)46-35-20-10-5-15-29(35)30-16-6-11-21-36(30)46;1-5-23-11-13-24(14-12-23)25-15-17-26(18-16-25)30-33-34-31(35(30)29-9-7-6-8-10-29)27-19-21-28(22-20-27)32(2,3)4;1-8-23-15-21(6)26(22(7)16-23)27(24-17(2)11-9-12-18(24)3)25-19(4)13-10-14-20(25)5;1-2-19-15-17-22(18-16-19)26-28-27-25(21-10-4-3-5-11-21)29(26)24-14-8-12-20-9-6-7-13-23(20)24/h2-25H,1H2;5-22H,1H2,2-4H3;8-16H,1H2,2-7H3;2-18H,1H2.
What are the key properties of bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole?
bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole has a molecular weight of 1784.09 g/mol, XLogP of 29.11, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dimethylphenyl)-(4-ethenyl-2,6-dimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-(4-ethenylphenyl)phenyl]-4-phenyl-1,2,4-triazole;9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-3-ethenylcarbazole;3-(4-ethenylphenyl)-4-naphthalen-1-yl-5-phenyl-1,2,4-triazole is sourced from PubChem (CID 159838024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).