9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole

C42H36FN3O2 — CID 177287879

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole
SMILES[2H]c1c(F)ccc2c1oc1c(-c3cc(C(C)(C)C)ccn3)cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc12
InChIInChI=1S/C42H36FN3O2/c1-41(2,3)25-15-17-44-35(19-25)34-23-29(22-33-32-13-11-27(43)21-38(32)48-40(33)34)47-28-12-14-31-30-9-7-8-10-36(30)46(37(31)24-28)39-20-26(16-18-45-39)42(4,5)6/h7-24H,1-6H3/i21D
InChIKeyPNSYRQUUNMSJFZ-KRLANHAZSA-N
MW634.77 g/mol
LogP11.67
Rot. Bonds4

About 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole

9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole (PubChem CID 177287879) has the molecular formula C42H36FN3O2 and a molecular weight of 634.77 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole
PubChem CID177287879
Molecular FormulaC42H36FN3O2
Molecular Weight634.77 g/mol
Exact Mass634.29
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole
SMILES[2H]c1c(F)ccc2c1oc1c(-c3cc(C(C)(C)C)ccn3)cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc12
InChIInChI=1S/C42H36FN3O2/c1-41(2,3)25-15-17-44-35(19-25)34-23-29(22-33-32-13-11-27(43)21-38(32)48-40(33)34)47-28-12-14-31-30-9-7-8-10-36(30)46(37(31)24-28)39-20-26(16-18-45-39)42(4,5)6/h7-24H,1-6H3/i21D
InChIKeyPNSYRQUUNMSJFZ-KRLANHAZSA-N
XLogP11.67
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.77
LogP ≤ 511.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole
CID 170904888
2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole
CID 163747433
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
4-tert-butyl-2-(2-methoxydibenzofuran-4-yl)pyridine
CID 155386640
[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
9-(4-tert-butyl-2-pyridinyl)-2-[4-[1-(2,4,6-trimethylphenyl)-2H-imidazo[4,5-b]pyridin-3-yl]dibenzofuran-2-yl]oxycarbazole
CID 176783710
9-(4-tert-butyl-2-pyridinyl)-2-[2-(3-phenyl-2H-benzimidazol-1-yl)dibenzofuran-4-yl]oxycarbazole
CID 158770762
9-(4-tert-butyl-2-pyridinyl)carbazole
CID 141429222
3-[[5-(4-tert-butyl-2-pyridinyl)-[1]benzofuro[2,3-g]carbazol-3-yl]oxy]aniline
CID 176783564
11-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-2,3-bis(2-methylphenyl)imidazo[1,2-f]phenanthridine
CID 163471213
9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-3-yl-2H-benzimidazol-1-yl)phenoxy]carbazole
CID 176783428
2-[3-(benzimidazol-1-yl)-5-carbazol-9-ylphenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 148690456

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole (CID 177287879) is 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole is [2H]c1c(F)ccc2c1oc1c(-c3cc(C(C)(C)C)ccn3)cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc12.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole?
The InChIKey is PNSYRQUUNMSJFZ-KRLANHAZSA-N. The full InChI is InChI=1S/C42H36FN3O2/c1-41(2,3)25-15-17-44-35(19-25)34-23-29(22-33-32-13-11-27(43)21-38(32)48-40(33)34)47-28-12-14-31-30-9-7-8-10-36(30)46(37(31)24-28)39-20-26(16-18-45-39)42(4,5)6/h7-24H,1-6H3/i21D.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole has a molecular weight of 634.77 g/mol, XLogP of 11.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole is sourced from PubChem (CID 177287879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).