9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole

C47H39N3O2 — CID 170904888

IUPAC9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole
SMILESCC(C)c1ccnc(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc3c2oc2cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C47H39N3O2/c1-29(2)31-19-21-48-41(23-31)40-27-35(26-39-38-17-15-32(24-44(38)52-46(39)40)30-11-7-6-8-12-30)51-34-16-18-37-36-13-9-10-14-42(36)50(43(37)28-34)45-25-33(20-22-49-45)47(3,4)5/h6-29H,1-5H3
InChIKeyKQVCZLNFTGJEQE-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.02
Rot. Bonds6

About 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole

9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole (PubChem CID 170904888) has the molecular formula C47H39N3O2 and a molecular weight of 677.85 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole.

Molecular Properties

Compound Name9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole
PubChem CID170904888
Molecular FormulaC47H39N3O2
Molecular Weight677.85 g/mol
Exact Mass677.30
IUPAC Name9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole
SMILESCC(C)c1ccnc(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc3c2oc2cc(-c4ccccc4)ccc23)c1
InChIInChI=1S/C47H39N3O2/c1-29(2)31-19-21-48-41(23-31)40-27-35(26-39-38-17-15-32(24-44(38)52-46(39)40)30-11-7-6-8-12-30)51-34-16-18-37-36-13-9-10-14-42(36)50(43(37)28-34)45-25-33(20-22-49-45)47(3,4)5/h6-29H,1-5H3
InChIKeyKQVCZLNFTGJEQE-UHFFFAOYSA-N
XLogP13.02
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-tert-butyl-2-pyridinyl)-2-[4-(4-tert-butyl-2-pyridinyl)-6-deuterio-7-fluorodibenzofuran-2-yl]oxycarbazole
CID 177287879
2-[4-(4-tert-butyl-2-pyridinyl)dibenzofuran-2-yl]oxy-9-(3,3-dimethylbutan-2-yl)carbazole
CID 163747433
15-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-18-phenyl-8-oxa-15-azatetracyclo[14.4.0.02,7.09,14]icosa-1(16),2,4,6,9,11,13,17,19-nonaene
CID 176861943
[3-[9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-trimethylgermane
CID 168743700
2-[8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-5-isocyanonaphtho[2,1-b][1]benzofuran-10-yl]oxy-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 171051761
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-(4-tert-butyl-2-pyridinyl)-2-[3-[4-phenyl-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]carbazole
CID 153415156
2-[3-tert-butyl-5-(3-methyl-4-phenyl-5-propan-2-ylpyrazol-1-yl)phenoxy]-9-(4-tert-butyl-2-pyridinyl)-6-phenylcarbazole
CID 153441828
5-tert-butyl-14-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-8,10-dioxa-3-azatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11(16),12,14-heptaene
CID 155650069
2-[3-[4-(3,5-ditert-butylphenyl)-3,5-di(propan-2-yl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153415433
9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(2,4-diphenylphenyl)-2H-imidazol-1-yl]phenoxy]carbazole
CID 155651780
[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

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole?
The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole (CID 170904888) is 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole.
What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole?
The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole is CC(C)c1ccnc(-c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc3c2oc2cc(-c4ccccc4)ccc23)c1.
What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole?
The InChIKey is KQVCZLNFTGJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39N3O2/c1-29(2)31-19-21-48-41(23-31)40-27-35(26-39-38-17-15-32(24-44(38)52-46(39)40)30-11-7-6-8-12-30)51-34-16-18-37-36-13-9-10-14-42(36)50(43(37)28-34)45-25-33(20-22-49-45)47(3,4)5/h6-29H,1-5H3.
What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole?
9-(4-tert-butyl-2-pyridinyl)-2-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole has a molecular weight of 677.85 g/mol, XLogP of 13.02, 6 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-[7-phenyl-4-(4-propan-2-yl-2-pyridinyl)dibenzofuran-2-yl]oxycarbazole is sourced from PubChem (CID 170904888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).