9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole

C46H36N4O2 — CID 158770762

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5CN(c6ccccc6)c6ccccc65)cc5c4oc4ccccc45)cc32)c1
InChIInChI=1S/C46H36N4O2/c1-46(2,3)30-23-24-47-44(25-30)50-38-17-9-7-15-34(38)35-22-21-33(28-41(35)50)51-43-27-32(26-37-36-16-8-12-20-42(36)52-45(37)43)49-29-48(31-13-5-4-6-14-31)39-18-10-11-19-40(39)49/h4-28H,29H2,1-3H3
InChIKeyHVABQPNFBQDSSH-UHFFFAOYSA-N
MW676.82 g/mol
LogP12.42
Rot. Bonds5

About 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole

9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole (PubChem CID 158770762) has the molecular formula C46H36N4O2 and a molecular weight of 676.82 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
PubChem CID158770762
Molecular FormulaC46H36N4O2
Molecular Weight676.82 g/mol
Exact Mass676.28
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5CN(c6ccccc6)c6ccccc65)cc5c4oc4ccccc45)cc32)c1
InChIInChI=1S/C46H36N4O2/c1-46(2,3)30-23-24-47-44(25-30)50-38-17-9-7-15-34(38)35-22-21-33(28-41(35)50)51-43-27-32(26-37-36-16-8-12-20-42(36)52-45(37)43)49-29-48(31-13-5-4-6-14-31)39-18-10-11-19-40(39)49/h4-28H,29H2,1-3H3
InChIKeyHVABQPNFBQDSSH-UHFFFAOYSA-N
XLogP12.42
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
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-(3-dibenzofuran-1-yl-2H-benzimidazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 165150142
9-(4-tert-butyl-2-pyridinyl)-2-[3-(1-dibenzofuran-2-yl-2H-imidazo[4,5-c]pyridin-3-yl)phenoxy]carbazole
CID 176782820
2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-[4-(1,1,1,3,3,3-hexadeuterio-2-methylpropan-2-yl)-2-pyridinyl]carbazole
CID 159074989
2-[3-tert-butyl-5-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652641
9-(4-tert-butyl-2-pyridinyl)-2-[3-carbazol-9-yl-5-(3-methyl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 155622877
2-[3-[3-(4-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 159539174
5-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-[1]benzofuro[3,2-c]carbazole
CID 170677138
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 155652676
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-phenanthren-2-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176782620
3-[3-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxyphenyl]-1-methyl-2H-[1]benzofuro[3,2-e]benzimidazole
CID 155794780

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole (CID 158770762) is 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4cc(N5CN(c6ccccc6)c6ccccc65)cc5c4oc4ccccc45)cc32)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole?
The InChIKey is HVABQPNFBQDSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N4O2/c1-46(2,3)30-23-24-47-44(25-30)50-38-17-9-7-15-34(38)35-22-21-33(28-41(35)50)51-43-27-32(26-37-36-16-8-12-20-42(36)52-45(37)43)49-29-48(31-13-5-4-6-14-31)39-18-10-11-19-40(39)49/h4-28H,29H2,1-3H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole has a molecular weight of 676.82 g/mol, XLogP of 12.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole is sourced from PubChem (CID 158770762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).