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

C44H30N2O — CID 130327268

IUPAC5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)n4)c3cc21
InChIInChI=1S/C44H30N2O/c1-44(2)35-19-9-6-15-29(35)33-25-34-30-16-7-10-20-38(30)46(39(34)26-36(33)44)42-24-28(27-13-4-3-5-14-27)23-37(45-42)31-18-12-22-41-43(31)32-17-8-11-21-40(32)47-41/h3-26H,1-2H3
InChIKeyAIEKMXXDCAEXBW-UHFFFAOYSA-N
MW602.74 g/mol
LogP11.72
Rot. Bonds3

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

5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 130327268) has the molecular formula C44H30N2O and a molecular weight of 602.74 g/mol. Its IUPAC name is 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID130327268
Molecular FormulaC44H30N2O
Molecular Weight602.74 g/mol
Exact Mass602.24
IUPAC Name5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)n4)c3cc21
InChIInChI=1S/C44H30N2O/c1-44(2)35-19-9-6-15-29(35)33-25-34-30-16-7-10-20-38(30)46(39(34)26-36(33)44)42-24-28(27-13-4-3-5-14-27)23-37(45-42)31-18-12-22-41-43(31)32-17-8-11-21-40(32)47-41/h3-26H,1-2H3
InChIKeyAIEKMXXDCAEXBW-UHFFFAOYSA-N
XLogP11.72
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-5-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 130209425
5-(6-dibenzofuran-1-yl-2-dibenzothiophen-2-ylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 130327262
5-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 130327260
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;ethane
CID 145017062
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 169014370
6-(9,9-dimethylfluoren-2-yl)-5-(4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]carbazole
CID 134252589
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)pyrimidin-4-yl]-11,11-dimethylindeno[1,2-b]carbazole
CID 118154014
7,7-dimethyl-5-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-b]carbazole
CID 146519894
5-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014138
5-[19-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-7-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146258962
5-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145017206
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548

Frequently Asked Questions

What is the IUPAC name of 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole (CID 130327268) is 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccccc5)cc(-c5cccc6oc7ccccc7c56)n4)c3cc21.
What is the InChIKey of 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is AIEKMXXDCAEXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2O/c1-44(2)35-19-9-6-15-29(35)33-25-34-30-16-7-10-20-38(30)46(39(34)26-36(33)44)42-24-28(27-13-4-3-5-14-27)23-37(45-42)31-18-12-22-41-43(31)32-17-8-11-21-40(32)47-41/h3-26H,1-2H3.
What are the key properties of 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole?
5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 602.74 g/mol, XLogP of 11.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-dibenzofuran-1-yl-4-phenyl-2-pyridinyl)-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 130327268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).