2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole

C42H28N6O — CID 140743175

IUPAC2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole
SMILESc1ccc(-n2ccnc2-n2c3ccccc3c3ccc(Oc4cn(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)n4)cc32)cc1
InChIInChI=1S/C42H28N6O/c1-3-13-29(14-4-1)45-26-25-43-41(45)48-38-22-12-9-19-34(38)35-24-23-31(27-39(35)48)49-40-28-46(30-15-5-2-6-16-30)42(44-40)47-36-20-10-7-17-32(36)33-18-8-11-21-37(33)47/h1-28H
InChIKeyJDCVTGUEPLNRSZ-UHFFFAOYSA-N
MW632.73 g/mol
LogP10.04
Rot. Bonds6

About 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole

2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole (PubChem CID 140743175) has the molecular formula C42H28N6O and a molecular weight of 632.73 g/mol. Its IUPAC name is 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole.

Molecular Properties

Compound Name2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole
PubChem CID140743175
Molecular FormulaC42H28N6O
Molecular Weight632.73 g/mol
Exact Mass632.23
IUPAC Name2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole
SMILESc1ccc(-n2ccnc2-n2c3ccccc3c3ccc(Oc4cn(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)n4)cc32)cc1
InChIInChI=1S/C42H28N6O/c1-3-13-29(14-4-1)45-26-25-43-41(45)48-38-22-12-9-19-34(38)35-24-23-31(27-39(35)48)49-40-28-46(30-15-5-2-6-16-30)42(44-40)47-36-20-10-7-17-32(36)33-18-8-11-21-37(33)47/h1-28H
InChIKeyJDCVTGUEPLNRSZ-UHFFFAOYSA-N
XLogP10.04
TPSA54.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.73
LogP ≤ 510.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-9-(1-methylimidazol-2-yl)carbazole
CID 162492208
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
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214
2,7-bis[3-(1-phenylimidazol-2-yl)phenoxy]-5,10-dipyridin-2-ylindolo[3,2-b]indole
CID 154592465
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
9-[4-(1-phenylimidazol-2-yl)phenyl]carbazole
CID 140800069
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
9-(1-quinazolin-2-ylimidazol-2-yl)carbazole
CID 90181036
2-(3-indazol-2-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140730409
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene
CID 162487091
2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
CID 161093369

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole?
The IUPAC name of 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole (CID 140743175) is 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole.
What is the SMILES notation for 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole?
The canonical SMILES for 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole is c1ccc(-n2ccnc2-n2c3ccccc3c3ccc(Oc4cn(-c5ccccc5)c(-n5c6ccccc6c6ccccc65)n4)cc32)cc1.
What is the InChIKey of 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole?
The InChIKey is JDCVTGUEPLNRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N6O/c1-3-13-29(14-4-1)45-26-25-43-41(45)48-38-22-12-9-19-34(38)35-24-23-31(27-39(35)48)49-40-28-46(30-15-5-2-6-16-30)42(44-40)47-36-20-10-7-17-32(36)33-18-8-11-21-37(33)47/h1-28H.
What are the key properties of 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole?
2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole has a molecular weight of 632.73 g/mol, XLogP of 10.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbazol-9-yl-1-phenylimidazol-4-yl)oxy-9-(1-phenylimidazol-2-yl)carbazole is sourced from PubChem (CID 140743175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).