4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine

C52H36N4O — CID 162702934

IUPAC4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2oc3c(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(C)C)ncnc3c2c1
InChIInChI=1S/C52H36N4O/c1-51(2)39-17-9-5-13-30(39)34-26-45-36(24-41(34)51)32-15-7-11-19-43(32)55(45)29-21-22-47-38(23-29)48-49(57-47)50(54-28-53-48)56-44-20-12-8-16-33(44)37-25-42-35(27-46(37)56)31-14-6-10-18-40(31)52(42,3)4/h5-28H,1-4H3
InChIKeyZJZYKPQAOGOSCM-UHFFFAOYSA-N
MW732.89 g/mol
LogP13.18
Rot. Bonds2

About 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine

4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 162702934) has the molecular formula C52H36N4O and a molecular weight of 732.89 g/mol. Its IUPAC name is 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID162702934
Molecular FormulaC52H36N4O
Molecular Weight732.89 g/mol
Exact Mass732.29
IUPAC Name4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2oc3c(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(C)C)ncnc3c2c1
InChIInChI=1S/C52H36N4O/c1-51(2)39-17-9-5-13-30(39)34-26-45-36(24-41(34)51)32-15-7-11-19-43(32)55(45)29-21-22-47-38(23-29)48-49(57-47)50(54-28-53-48)56-44-20-12-8-16-33(44)37-25-42-35(27-46(37)56)31-14-6-10-18-40(31)52(42,3)4/h5-28H,1-4H3
InChIKeyZJZYKPQAOGOSCM-UHFFFAOYSA-N
XLogP13.18
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.89
LogP ≤ 513.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

5-(8-carbazol-9-yldibenzofuran-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 89472024
11,11-dimethyl-5-triphenylen-2-ylindeno[1,2-b]carbazole
CID 118488496
CID 134551753
CID 134551753
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163792
5-[6-(2,6-dipyridin-2-yl-4-pyridinyl)dibenzofuran-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126628971
11,11-dimethyl-5-phenylindeno[1,2-b]carbazole
CID 58059223
8-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzo[c]chromen-6-one
CID 125495771
7,7-dimethyl-5-[6-(4-phenylquinolin-2-yl)dibenzofuran-2-yl]indeno[2,1-b]carbazole
CID 118491092
9-dibenzofuran-2-yl-2-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole
CID 129312344
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
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 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 162702934) is 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc2oc3c(-n4c5ccccc5c5cc6c(cc54)-c4ccccc4C6(C)C)ncnc3c2c1.
What is the InChIKey of 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is ZJZYKPQAOGOSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4O/c1-51(2)39-17-9-5-13-30(39)34-26-45-36(24-41(34)51)32-15-7-11-19-43(32)55(45)29-21-22-47-38(23-29)48-49(57-47)50(54-28-53-48)56-44-20-12-8-16-33(44)37-25-42-35(27-46(37)56)31-14-6-10-18-40(31)52(42,3)4/h5-28H,1-4H3.
What are the key properties of 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine?
4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 732.89 g/mol, XLogP of 13.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 162702934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).