9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile

C49H39N7O — CID 140906158

IUPAC9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile
SMILESCc1cc(C)c(-n2ccnc2-n2c3ccccc3c3ccc(Oc4cc5c(cc4C#N)c4ccccc4n5-c4nccn4-c4c(C)cc(C)cc4C)cc32)c(C)c1
InChIInChI=1S/C49H39N7O/c1-29-21-31(3)46(32(4)22-29)53-19-17-51-48(53)55-41-13-9-7-11-37(41)39-16-15-36(26-43(39)55)57-45-27-44-40(25-35(45)28-50)38-12-8-10-14-42(38)56(44)49-52-18-20-54(49)47-33(5)23-30(2)24-34(47)6/h7-27H,1-6H3
InChIKeyINPDUDISFTUCGT-UHFFFAOYSA-N
MW741.90 g/mol
LogP11.77
Rot. Bonds6

About 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile

9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile (PubChem CID 140906158) has the molecular formula C49H39N7O and a molecular weight of 741.90 g/mol. Its IUPAC name is 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile
PubChem CID140906158
Molecular FormulaC49H39N7O
Molecular Weight741.90 g/mol
Exact Mass741.32
IUPAC Name9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile
SMILESCc1cc(C)c(-n2ccnc2-n2c3ccccc3c3ccc(Oc4cc5c(cc4C#N)c4ccccc4n5-c4nccn4-c4c(C)cc(C)cc4C)cc32)c(C)c1
InChIInChI=1S/C49H39N7O/c1-29-21-31(3)46(32(4)22-29)53-19-17-51-48(53)55-41-13-9-7-11-37(41)39-16-15-36(26-43(39)55)57-45-27-44-40(25-35(45)28-50)38-12-8-10-14-42(38)56(44)49-52-18-20-54(49)47-33(5)23-30(2)24-34(47)6/h7-27H,1-6H3
InChIKeyINPDUDISFTUCGT-UHFFFAOYSA-N
XLogP11.77
TPSA78.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.90
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile
CID 140906280
2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole
CID 140743175
2-methoxy-9-(1-methylimidazol-2-yl)carbazole
CID 162492208
2-[(6-carbazol-9-yl-2-pyridinyl)oxy]-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 140906232
iridium;9-phenyl-3-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2H-carbazol-2-ide
CID 59171953
2-[2-carbazol-9-yl-1-(2,6-dimethylphenyl)benzimidazol-4-yl]oxy-9-[1-(2,6-dimethylphenyl)benzimidazol-2-yl]carbazole
CID 140743195
11-(9-pyridin-2-ylcarbazol-2-yl)oxy-6-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154610805
[5-methyl-1-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-3-(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]platinum
CID 176871172
3-[[5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-4H-pyrido[4,3-b]indol-4-id-3-yl]oxy]-5-pyridin-2-yl-4H-pyrido[4,3-b]indol-4-ide;2-[[3-isocyano-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]-diphenylsilyl]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-ide-3-carbonitrile;5-(5-phenyl-2-pyridinyl)-3-[[9-(5-phenyl-2-pyridinyl)-8H-pyrido[3,4-b]indol-8-id-7-yl]oxy]-4H-pyrido[3,2-b]indol-4-ide;pentakis(platinum(2+));7-[(9-pyridin-2-yl-8H-pyrido[3,4-b]indol-8-id-7-yl)oxy]-9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-8H-pyrido[3,4-b]indol-8-ide;9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-1H-carbazol-1-id-2-yl]oxy]-1H-carbazol-1-ide-3-carbonitrile
CID 162168408
2-[1-[3-[9-(4-methoxy-2-pyridinyl)carbazol-2-yl]oxyphenyl]pyrazol-4-yl]-5-methylbenzene-1,3-dicarbonitrile
CID 153414534
3-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]phenoxy]-5-[1-(2,6-dimethylphenyl)imidazol-2-yl]-7-methylbenzimidazolo[1,2-a]benzimidazole
CID 159692417
11-[9-[4-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]carbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411773

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile?
The IUPAC name of 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile (CID 140906158) is 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile.
What is the SMILES notation for 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile?
The canonical SMILES for 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile is Cc1cc(C)c(-n2ccnc2-n2c3ccccc3c3ccc(Oc4cc5c(cc4C#N)c4ccccc4n5-c4nccn4-c4c(C)cc(C)cc4C)cc32)c(C)c1.
What is the InChIKey of 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile?
The InChIKey is INPDUDISFTUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N7O/c1-29-21-31(3)46(32(4)22-29)53-19-17-51-48(53)55-41-13-9-7-11-37(41)39-16-15-36(26-43(39)55)57-45-27-44-40(25-35(45)28-50)38-12-8-10-14-42(38)56(44)49-52-18-20-54(49)47-33(5)23-30(2)24-34(47)6/h7-27H,1-6H3.
What are the key properties of 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile?
9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile has a molecular weight of 741.90 g/mol, XLogP of 11.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]-2-[9-[1-(2,4,6-trimethylphenyl)imidazol-2-yl]carbazol-2-yl]oxycarbazole-3-carbonitrile is sourced from PubChem (CID 140906158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).