12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole

C46H30N4 — CID 135176939

IUPAC12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccncc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-14-31(15-5-1)40-30-42(49-45(48-40)32-16-6-2-7-17-32)50-41-23-13-11-20-35(41)36-24-25-39-43(44(36)50)37-21-10-12-22-38(37)46(39,33-18-8-3-9-19-33)34-26-28-47-29-27-34/h1-30H
InChIKeyGUOALCYOAMEPQC-UHFFFAOYSA-N
MW638.77 g/mol
LogP10.67
Rot. Bonds5

About 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole

12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole (PubChem CID 135176939) has the molecular formula C46H30N4 and a molecular weight of 638.77 g/mol. Its IUPAC name is 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole.

Molecular Properties

Compound Name12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole
PubChem CID135176939
Molecular FormulaC46H30N4
Molecular Weight638.77 g/mol
Exact Mass638.25
IUPAC Name12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccncc3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H30N4/c1-4-14-31(15-5-1)40-30-42(49-45(48-40)32-16-6-2-7-17-32)50-41-23-13-11-20-35(41)36-24-25-39-43(44(36)50)37-21-10-12-22-38(37)46(39,33-18-8-3-9-19-33)34-26-28-47-29-27-34/h1-30H
InChIKeyGUOALCYOAMEPQC-UHFFFAOYSA-N
XLogP10.67
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 134551887
CID 134551887
12'-[2-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014850
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247348
12'-[2-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014390
12'-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 130327316
9-(2,6-diphenylpyrimidin-4-yl)-18,18,21,21-tetramethyl-9-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635576
7,7-diphenyl-12-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]indeno[1,2-a]carbazole
CID 121343577
12'-[4-[4-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 169014741
12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203

Frequently Asked Questions

What is the IUPAC name of 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole?
The IUPAC name of 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole (CID 135176939) is 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole.
What is the SMILES notation for 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole?
The canonical SMILES for 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(c3ccccc3)c3ccncc3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole?
The InChIKey is GUOALCYOAMEPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4/c1-4-14-31(15-5-1)40-30-42(49-45(48-40)32-16-6-2-7-17-32)50-41-23-13-11-20-35(41)36-24-25-39-43(44(36)50)37-21-10-12-22-38(37)46(39,33-18-8-3-9-19-33)34-26-28-47-29-27-34/h1-30H.
What are the key properties of 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole?
12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole has a molecular weight of 638.77 g/mol, XLogP of 10.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2,6-diphenylpyrimidin-4-yl)-7-phenyl-7-pyridin-4-ylindeno[1,2-a]carbazole is sourced from PubChem (CID 135176939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).