11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C43H29N3O — CID 130334516

IUPAC11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c21
InChIInChI=1S/C43H29N3O/c1-43(2)33-20-10-6-18-29(33)40-39(43)41(45-42(44-40)26-14-4-3-5-15-26)30-19-8-12-22-35(30)46-34-21-11-7-16-27(34)31-25-38-32(24-36(31)46)28-17-9-13-23-37(28)47-38/h3-25H,1-2H3
InChIKeyAUFVERCXSPXJBR-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.11
Rot. Bonds3

About 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 130334516) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID130334516
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c21
InChIInChI=1S/C43H29N3O/c1-43(2)33-20-10-6-18-29(33)40-39(43)41(45-42(44-40)26-14-4-3-5-15-26)30-19-8-12-22-35(30)46-34-21-11-7-16-27(34)31-25-38-32(24-36(31)46)28-17-9-13-23-37(28)47-38/h3-25H,1-2H3
InChIKeyAUFVERCXSPXJBR-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 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334407
7-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 164955673
11-[2-(2,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805704
11-[2-(2,5,5-triphenyl-[1]benzosilolo[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 140805133
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 163515985
11-[2-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 164932870
5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole;7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 159218476
11-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 130327477
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130334302
4-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine;4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-5,5-dimethyl-2-(4-phenylphenyl)indeno[1,2-d]pyrimidine;5,5-dimethyl-4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 161246131
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 146336057

Frequently Asked Questions

What is the IUPAC name of 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 130334516) is 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is CC1(C)c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc5oc6ccccc6c5cc43)c21.
What is the InChIKey of 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is AUFVERCXSPXJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-43(2)33-20-10-6-18-29(33)40-39(43)41(45-42(44-40)26-14-4-3-5-15-26)30-19-8-12-22-35(30)46-34-21-11-7-16-27(34)31-25-38-32(24-36(31)46)28-17-9-13-23-37(28)47-38/h3-25H,1-2H3.
What are the key properties of 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole 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 11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 130334516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).