3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole

C47H30N2O2 — CID 163864533

IUPAC3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESC1=c2oc3ccccc3c2=CC(c2cccc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)n2)C1
InChIInChI=1S/C47H30N2O2/c1-2-9-33(10-3-1)49-42-15-6-4-11-34(42)36-25-29(17-21-43(36)49)30-18-22-46-38(26-30)39-28-32(20-24-47(39)51-46)41-14-8-13-40(48-41)31-19-23-45-37(27-31)35-12-5-7-16-44(35)50-45/h1-18,20-28,31H,19H2
InChIKeyPFMMKNYVAGSPNN-UHFFFAOYSA-N
MW654.77 g/mol
LogP10.91
Rot. Bonds4

About 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole

3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 163864533) has the molecular formula C47H30N2O2 and a molecular weight of 654.77 g/mol. Its IUPAC name is 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID163864533
Molecular FormulaC47H30N2O2
Molecular Weight654.77 g/mol
Exact Mass654.23
IUPAC Name3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESC1=c2oc3ccccc3c2=CC(c2cccc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)n2)C1
InChIInChI=1S/C47H30N2O2/c1-2-9-33(10-3-1)49-42-15-6-4-11-34(42)36-25-29(17-21-43(36)49)30-18-22-46-38(26-30)39-28-32(20-24-47(39)51-46)41-14-8-13-40(48-41)31-19-23-45-37(27-31)35-12-5-7-16-44(35)50-45/h1-18,20-28,31H,19H2
InChIKeyPFMMKNYVAGSPNN-UHFFFAOYSA-N
XLogP10.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.77
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-[3-(9-phenylcarbazol-3-yl)phenyl]-2,3-dihydrodibenzofuran-2-yl]carbazole
CID 142347158
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-dibenzofuran-2-yl-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 118503233
9-(4-dibenzofuran-2-ylphenyl)-3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole;9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159961245
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068

Frequently Asked Questions

What is the IUPAC name of 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 163864533) is 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole is C1=c2oc3ccccc3c2=CC(c2cccc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)n2)C1.
What is the InChIKey of 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is PFMMKNYVAGSPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O2/c1-2-9-33(10-3-1)49-42-15-6-4-11-34(42)36-25-29(17-21-43(36)49)30-18-22-46-38(26-30)39-28-32(20-24-47(39)51-46)41-14-8-13-40(48-41)31-19-23-45-37(27-31)35-12-5-7-16-44(35)50-45/h1-18,20-28,31H,19H2.
What are the key properties of 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole?
3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 654.77 g/mol, XLogP of 10.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[6-(2,3-dihydrodibenzofuran-2-yl)-2-pyridinyl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 163864533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).