2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

C43H29N3O — CID 130333494

IUPAC2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4-c4nc(-c5ccccc5)c5c(n4)oc4ccccc45)c3c21
InChIInChI=1S/C43H29N3O/c1-43(2)33-20-10-6-16-27(33)29-24-25-30-28-17-7-11-21-34(28)46(40(30)38(29)43)35-22-12-8-18-31(35)41-44-39(26-14-4-3-5-15-26)37-32-19-9-13-23-36(32)47-42(37)45-41/h3-25H,1-2H3
InChIKeyQDEMVDMHQHMEID-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.11
Rot. Bonds3

About 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine

2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 130333494) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID130333494
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4-c4nc(-c5ccccc5)c5c(n4)oc4ccccc45)c3c21
InChIInChI=1S/C43H29N3O/c1-43(2)33-20-10-6-16-27(33)29-24-25-30-28-17-7-11-21-34(28)46(40(30)38(29)43)35-22-12-8-18-31(35)41-44-39(26-14-4-3-5-15-26)37-32-19-9-13-23-36(32)47-42(37)45-41/h3-25H,1-2H3
InChIKeyQDEMVDMHQHMEID-UHFFFAOYSA-N
XLogP11.11
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130334302
11-[4-dibenzofuran-1-yl-6-[2-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 163676948
12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334407
12,12-dimethyl-11-[1-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indeno[2,1-a]carbazole
CID 155159700
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 146761337
2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333600
11-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 169014731
5-[2-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 130334038
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
4-phenyl-2-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 166902107
1-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 170080056
11-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-12,12-dimethylindeno[2,1-a]carbazole
CID 126628967

Frequently Asked Questions

What is the IUPAC name of 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine (CID 130333494) is 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4-c4nc(-c5ccccc5)c5c(n4)oc4ccccc45)c3c21.
What is the InChIKey of 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is QDEMVDMHQHMEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-43(2)33-20-10-6-16-27(33)29-24-25-30-28-17-7-11-21-34(28)46(40(30)38(29)43)35-22-12-8-18-31(35)41-44-39(26-14-4-3-5-15-26)37-32-19-9-13-23-36(32)47-42(37)45-41/h3-25H,1-2H3.
What are the key properties of 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine?
2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 603.73 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 130333494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).