9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole

C43H35N5O2 — CID 170524035

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole
SMILESCc1cccc(C)c1-n1ncnc1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc2oc3ccccc3c12
InChIInChI=1S/C43H35N5O2/c1-26-11-10-12-27(2)41(26)48-42(45-25-46-48)34-22-30(24-38-40(34)33-14-7-9-16-37(33)50-38)49-29-17-18-32-31-13-6-8-15-35(31)47(36(32)23-29)39-21-28(19-20-44-39)43(3,4)5/h6-25H,1-5H3
InChIKeyDSPPAKIZLUBBPZ-UHFFFAOYSA-N
MW653.79 g/mol
LogP11.03
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole

9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole (PubChem CID 170524035) has the molecular formula C43H35N5O2 and a molecular weight of 653.79 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole
PubChem CID170524035
Molecular FormulaC43H35N5O2
Molecular Weight653.79 g/mol
Exact Mass653.28
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole
SMILESCc1cccc(C)c1-n1ncnc1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc2oc3ccccc3c12
InChIInChI=1S/C43H35N5O2/c1-26-11-10-12-27(2)41(26)48-42(45-25-46-48)34-22-30(24-38-40(34)33-14-7-9-16-37(33)50-38)49-29-17-18-32-31-13-6-8-15-35(31)47(36(32)23-29)39-21-28(19-20-44-39)43(3,4)5/h6-25H,1-5H3
InChIKeyDSPPAKIZLUBBPZ-UHFFFAOYSA-N
XLogP11.03
TPSA70.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.79
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-tert-butyl-5-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 165150142
3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-methyl-2H-[1]benzofuro[3,2-e]benzimidazole
CID 155794780
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline
CID 176783564
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
1-N-[3-[[12-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[3,2-a]carbazol-10-yl]oxy]phenyl]-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782200
1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-phenyl-2H-[1]benzofuro[3,2-f]benzimidazole
CID 155794776
2-[3-tert-butyl-5-[4-(2,6-dimethylphenyl)pyrazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 153413715
2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-5,6-dimethyl-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651087
[1-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-3-[4-carbazol-9-yl-2,6-di(dibenzofuran-4-yl)phenyl]benzimidazol-2-ylidene]platinum
CID 164804287
11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine
CID 163471213
4-(4-tert-butyl-2-methylphenyl)-9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole
CID 162771187

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole (CID 170524035) is 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole is Cc1cccc(C)c1-n1ncnc1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc2oc3ccccc3c12.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole?
The InChIKey is DSPPAKIZLUBBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N5O2/c1-26-11-10-12-27(2)41(26)48-42(45-25-46-48)34-22-30(24-38-40(34)33-14-7-9-16-37(33)50-38)49-29-17-18-32-31-13-6-8-15-35(31)47(36(32)23-29)39-21-28(19-20-44-39)43(3,4)5/h6-25H,1-5H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole has a molecular weight of 653.79 g/mol, XLogP of 11.03, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[1-[2-(2,6-dimethylphenyl)-1,2,4-triazol-3-yl]dibenzofuran-3-yl]oxycarbazole is sourced from PubChem (CID 170524035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).