5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C48H32N4O — CID 126628971

IUPAC5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cccc6c5c4)c3cc21
InChIInChI=1S/C48H32N4O/c1-48(2)38-16-5-3-12-32(38)35-27-36-33-13-4-6-19-44(33)52(45(36)28-39(35)48)30-20-21-46-37(26-30)34-15-11-14-31(47(34)53-46)29-24-42(40-17-7-9-22-49-40)51-43(25-29)41-18-8-10-23-50-41/h3-28H,1-2H3
InChIKeyFMOYFVPGEQQUDJ-UHFFFAOYSA-N
MW680.81 g/mol
LogP12.18
Rot. Bonds4

About 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 126628971) has the molecular formula C48H32N4O and a molecular weight of 680.81 g/mol. Its IUPAC name is 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID126628971
Molecular FormulaC48H32N4O
Molecular Weight680.81 g/mol
Exact Mass680.26
IUPAC Name5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cccc6c5c4)c3cc21
InChIInChI=1S/C48H32N4O/c1-48(2)38-16-5-3-12-32(38)35-27-36-33-13-4-6-19-44(33)52(45(36)28-39(35)48)30-20-21-46-37(26-30)34-15-11-14-31(47(34)53-46)29-24-42(40-17-7-9-22-49-40)51-43(25-29)41-18-8-10-23-50-41/h3-28H,1-2H3
InChIKeyFMOYFVPGEQQUDJ-UHFFFAOYSA-N
XLogP12.18
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.81
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-5-[6-(4-phenylquinolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 118491092
5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(6-phenyldibenzofuran-2-yl)carbazole
CID 170080701
5-[3-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146534938
5-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[6-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 163717305
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
9-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]-3-dibenzofuran-4-ylcarbazole
CID 87156778
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
7-(4-dibenzofuran-4-ylphenyl)-5-(11,11-dimethylbenzo[b]fluoren-2-yl)indolo[2,3-b]carbazole
CID 126580142
4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 162702934
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
7-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-[1]benzofuro[2,3-b]pyrazine
CID 134351434

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 126628971) is 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5oc6c(-c7cc(-c8ccccn8)nc(-c8ccccn8)c7)cccc6c5c4)c3cc21.
What is the InChIKey of 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is FMOYFVPGEQQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N4O/c1-48(2)38-16-5-3-12-32(38)35-27-36-33-13-4-6-19-44(33)52(45(36)28-39(35)48)30-20-21-46-37(26-30)34-15-11-14-31(47(34)53-46)29-24-42(40-17-7-9-22-49-40)51-43(25-29)41-18-8-10-23-50-41/h3-28H,1-2H3.
What are the key properties of 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 680.81 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 126628971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).