3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole

C126H129N9 — CID 159989435

IUPAC3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCCC(C)n1c(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)nc2ccccc21.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2nc3ccccc3n2C(C)C)c(C)c1.Cn1c(-n2c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc32)nc2ccccc21
InChIInChI=1S/C48H55N3.C40H39N3.C38H35N3/c1-45(2,3)34-22-32(23-35(28-34)46(4,5)6)30-18-20-41-38(26-30)39-27-31(33-24-36(47(7,8)9)29-37(25-33)48(10,11)12)19-21-42(39)51(41)44-49-40-16-14-15-17-43(40)50(44)13;1-23(2)42-37-12-10-9-11-34(37)41-40(42)43-35-15-13-30(38-26(5)17-24(3)18-27(38)6)21-32(35)33-22-31(14-16-36(33)43)39-28(7)19-25(4)20-29(39)8;1-6-27(5)40-37-14-10-9-13-34(37)39-38(40)41-35-19-16-28(30-12-8-7-11-25(30)3)22-32(35)33-23-29(17-20-36(33)41)31-18-15-24(2)21-26(31)4/h14-29H,1-13H3;9-23H,1-8H3;7-23,27H,6H2,1-5H3
InChIKeyOGTMEGIMUWJXME-UHFFFAOYSA-N
MW1769.48 g/mol
LogP34.46
Rot. Bonds12

About 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole

3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 159989435) has the molecular formula C126H129N9 and a molecular weight of 1769.48 g/mol. Its IUPAC name is 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole
PubChem CID159989435
Molecular FormulaC126H129N9
Molecular Weight1769.48 g/mol
Exact Mass1768.04
IUPAC Name3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCCC(C)n1c(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)nc2ccccc21.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2nc3ccccc3n2C(C)C)c(C)c1.Cn1c(-n2c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc32)nc2ccccc21
InChIInChI=1S/C48H55N3.C40H39N3.C38H35N3/c1-45(2,3)34-22-32(23-35(28-34)46(4,5)6)30-18-20-41-38(26-30)39-27-31(33-24-36(47(7,8)9)29-37(25-33)48(10,11)12)19-21-42(39)51(41)44-49-40-16-14-15-17-43(40)50(44)13;1-23(2)42-37-12-10-9-11-34(37)41-40(42)43-35-15-13-30(38-26(5)17-24(3)18-27(38)6)21-32(35)33-22-31(14-16-36(33)43)39-28(7)19-25(4)20-29(39)8;1-6-27(5)40-37-14-10-9-13-34(37)39-38(40)41-35-19-16-28(30-12-8-7-11-25(30)3)22-32(35)33-23-29(17-20-36(33)41)31-18-15-24(2)21-26(31)4/h14-29H,1-13H3;9-23H,1-8H3;7-23,27H,6H2,1-5H3
InChIKeyOGTMEGIMUWJXME-UHFFFAOYSA-N
XLogP34.46
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001769.48
LogP ≤ 534.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)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'-[[2-n-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-benzimidazol-1-yl]-methyl]-2-(1H-tetrazol-5-yl)-biphenyl
CID 10437261
Benzimidazolium, tris(1-dodecyl-3-methyl-2-phenyl-, ferricyanide
CID 81692
1-[[4-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]methyl]-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
CID 25147556
16-ethyl-12-methyl-14-[(2Z)-2-(1,1,3-trimethylbenzo[e]indol-2-ylidene)ethylidene]-11-aza-16-azoniatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,15-hexaene iodide
CID 44459023
CID 60165459
CID 60165459
4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-1-[[1-[2-(2H-tetrazol-5-yl)phenyl]indol-4-yl]methyl]benzimidazole
CID 127053316
N-((9-Ethyl-9H-carbazol-3-yl)methyl)-1-methyl-1H-benzo[d]imidazol-2-amine
CID 163902400
4-(9-Ethylcarbazol-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 2999704
4'-((1,7'-Dimethyl-2'-propyl-1H,3'H-(2,5'-bibenzo(d)imidazol)-3'-yl)methyl)-(1,1'-biphenyl)-2-carbonitrile
CID 11961510
1-(naphthalen-2-ylmethyl)-N'-propan-2-yl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzimidazole-5-carboximidamide
CID 155523866
2-Heptyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium
CID 132547215
4-methyl-6-(1-methylbenzimidazol-2-yl)-1-[[2-phenyl-1-(2H-tetrazol-5-ylmethyl)benzimidazol-5-yl]methyl]-2-propylbenzimidazole
CID 9916555

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole (CID 159989435) is 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole is CCC(C)n1c(-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccc(C)cc4C)ccc32)nc2ccccc21.Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2nc3ccccc3n2C(C)C)c(C)c1.Cn1c(-n2c3ccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc3c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc32)nc2ccccc21.
What is the InChIKey of 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The InChIKey is OGTMEGIMUWJXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H55N3.C40H39N3.C38H35N3/c1-45(2,3)34-22-32(23-35(28-34)46(4,5)6)30-18-20-41-38(26-30)39-27-31(33-24-36(47(7,8)9)29-37(25-33)48(10,11)12)19-21-42(39)51(41)44-49-40-16-14-15-17-43(40)50(44)13;1-23(2)42-37-12-10-9-11-34(37)41-40(42)43-35-15-13-30(38-26(5)17-24(3)18-27(38)6)21-32(35)33-22-31(14-16-36(33)43)39-28(7)19-25(4)20-29(39)8;1-6-27(5)40-37-14-10-9-13-34(37)39-38(40)41-35-19-16-28(30-12-8-7-11-25(30)3)22-32(35)33-23-29(17-20-36(33)41)31-18-15-24(2)21-26(31)4/h14-29H,1-13H3;9-23H,1-8H3;7-23,27H,6H2,1-5H3.
What are the key properties of 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole?
3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1769.48 g/mol, XLogP of 34.46, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(3,5-ditert-butylphenyl)-9-(1-methylbenzimidazol-2-yl)carbazole;9-(1-butan-2-ylbenzimidazol-2-yl)-3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazole;9-(1-propan-2-ylbenzimidazol-2-yl)-3,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 159989435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).