5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole

C44H30N2O — CID 118153947

IUPAC5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C44H30N2O/c1-44(2)35-20-9-6-15-29(35)31-23-24-39-41(42(31)44)34-17-7-10-21-38(34)46(39)28-25-36(27-13-4-3-5-14-27)45-37(26-28)33-19-12-18-32-30-16-8-11-22-40(30)47-43(32)33/h3-26H,1-2H3
InChIKeyCULQKNMBUOESEA-UHFFFAOYSA-N
MW602.74 g/mol
LogP11.72
Rot. Bonds3

About 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole

5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 118153947) has the molecular formula C44H30N2O and a molecular weight of 602.74 g/mol. Its IUPAC name is 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole
PubChem CID118153947
Molecular FormulaC44H30N2O
Molecular Weight602.74 g/mol
Exact Mass602.24
IUPAC Name5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)c1
InChIInChI=1S/C44H30N2O/c1-44(2)35-20-9-6-15-29(35)31-23-24-39-41(42(31)44)34-17-7-10-21-38(34)46(39)28-25-36(27-13-4-3-5-14-27)45-37(26-28)33-19-12-18-32-30-16-8-11-22-40(30)47-43(32)33/h3-26H,1-2H3
InChIKeyCULQKNMBUOESEA-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

5-(4-dibenzofuran-4-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 90191504
2-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;3-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-9-phenylcarbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;5-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
CID 158000888
11-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-12,12-dimethylindeno[1,2-c]carbazole;5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-4-yl]-12-phenylindolo[3,2-c]carbazole
CID 161108406
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
5-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-[1]benzofuro[3,2-c]carbazole;5-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-12,12-dimethylindeno[1,2-c]carbazole;4-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-9-phenylcarbazole;5-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)-12-phenylindolo[3,2-c]carbazole
CID 158108867
5-(4,6-diphenylpyrimidin-2-yl)-12,12-dimethylindeno[1,2-c]carbazole
CID 66805080
9-dibenzofuran-4-yl-14-(2,6-diphenyl-4-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385469
9-(4-dibenzofuran-4-ylphenyl)-15,15-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 129193103
2-(12,12-dimethyl-5-phenylindeno[1,2-c]carbazol-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 134223381
12,12-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indeno[1,2-c]carbazole
CID 169014734
5-[3-[2,6-bis[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 126630735

Frequently Asked Questions

What is the IUPAC name of 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole?
The IUPAC name of 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole (CID 118153947) is 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole.
What is the SMILES notation for 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole?
The canonical SMILES for 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccccc2)nc(-c2cccc3c2oc2ccccc23)c1.
What is the InChIKey of 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole?
The InChIKey is CULQKNMBUOESEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2O/c1-44(2)35-20-9-6-15-29(35)31-23-24-39-41(42(31)44)34-17-7-10-21-38(34)46(39)28-25-36(27-13-4-3-5-14-27)45-37(26-28)33-19-12-18-32-30-16-8-11-22-40(30)47-43(32)33/h3-26H,1-2H3.
What are the key properties of 5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole?
5-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]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-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 118153947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).