9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole

C41H27N3O — CID 166931652

IUPAC9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
SMILESC1=Cc2c(n(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)n6)cc5c4c3)c3ccccc23)CC1
InChIInChI=1S/C41H27N3O/c1-5-15-35-28(10-1)29-11-2-6-16-36(29)43(35)27-21-23-40-33(25-27)32-24-26(20-22-39(32)45-40)34-14-9-19-41(42-34)44-37-17-7-3-12-30(37)31-13-4-8-18-38(31)44/h1-5,7-15,17-25H,6,16H2
InChIKeyYGOKQWZBRGTIOP-UHFFFAOYSA-N
MW577.69 g/mol
LogP10.65
Rot. Bonds3

About 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole

9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole (PubChem CID 166931652) has the molecular formula C41H27N3O and a molecular weight of 577.69 g/mol. Its IUPAC name is 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole.

Molecular Properties

Compound Name9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
PubChem CID166931652
Molecular FormulaC41H27N3O
Molecular Weight577.69 g/mol
Exact Mass577.22
IUPAC Name9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole
SMILESC1=Cc2c(n(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)n6)cc5c4c3)c3ccccc23)CC1
InChIInChI=1S/C41H27N3O/c1-5-15-35-28(10-1)29-11-2-6-16-36(29)43(35)27-21-23-40-33(25-27)32-24-26(20-22-39(32)45-40)34-14-9-19-41(42-34)44-37-17-7-3-12-30(37)31-13-4-8-18-38(31)44/h1-5,7-15,17-25H,6,16H2
InChIKeyYGOKQWZBRGTIOP-UHFFFAOYSA-N
XLogP10.65
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[6-[6-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 71013433
9-[8-(6-dibenzofuran-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433742
6-phenyl-9-[8-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,2-dihydrocarbazole
CID 155111392
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
9-dibenzofuran-2-yl-2-phenyl-3-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]carbazole
CID 90348742
2-(3-carbazol-9-ylcarbazol-9-yl)-6-[3-(1,2-dihydrocarbazol-9-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216707
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
3-[9-[6-(8-fluorodibenzofuran-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 121276736
9-[8-(6-dibenzothiophen-2-yl-2-pyridinyl)dibenzofuran-2-yl]carbazole
CID 89433743
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
9-(6,7-dihydrodibenzofuran-2-yl)-3-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-3-yl]phenyl]carbazole
CID 144541028
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510

Frequently Asked Questions

What is the IUPAC name of 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole?
The IUPAC name of 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole (CID 166931652) is 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole.
What is the SMILES notation for 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole?
The canonical SMILES for 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole is C1=Cc2c(n(-c3ccc4oc5ccc(-c6cccc(-n7c8ccccc8c8ccccc87)n6)cc5c4c3)c3ccccc23)CC1.
What is the InChIKey of 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole?
The InChIKey is YGOKQWZBRGTIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3O/c1-5-15-35-28(10-1)29-11-2-6-16-36(29)43(35)27-21-23-40-33(25-27)32-24-26(20-22-39(32)45-40)34-14-9-19-41(42-34)44-37-17-7-3-12-30(37)31-13-4-8-18-38(31)44/h1-5,7-15,17-25H,6,16H2.
What are the key properties of 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole?
9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole has a molecular weight of 577.69 g/mol, XLogP of 10.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-[8-(1,2-dihydrocarbazol-9-yl)dibenzofuran-2-yl]-2-pyridinyl]carbazole is sourced from PubChem (CID 166931652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).