12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole

C37H25N3O — CID 130333574

IUPAC12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc21
InChIInChI=1S/C37H25N3O/c1-37(2)27-17-9-6-15-25(27)32-33(22-12-4-3-5-13-22)38-36(39-35(32)37)40-28-18-10-7-14-23(28)24-20-21-30-31(34(24)40)26-16-8-11-19-29(26)41-30/h3-21H,1-2H3
InChIKeyASHAABYDWIQLRY-UHFFFAOYSA-N
MW527.63 g/mol
LogP9.45
Rot. Bonds2

About 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole

12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole (PubChem CID 130333574) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole.

Molecular Properties

Compound Name12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole
PubChem CID130333574
Molecular FormulaC37H25N3O
Molecular Weight527.63 g/mol
Exact Mass527.20
IUPAC Name12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc21
InChIInChI=1S/C37H25N3O/c1-37(2)27-17-9-6-15-25(27)32-33(22-12-4-3-5-13-22)38-36(39-35(32)37)40-28-18-10-7-14-23(28)24-20-21-30-31(34(24)40)26-16-8-11-19-29(26)41-30/h3-21H,1-2H3
InChIKeyASHAABYDWIQLRY-UHFFFAOYSA-N
XLogP9.45
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.63
LogP ≤ 59.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333620
5-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-11,11-dimethylindeno[1,2-b]carbazole
CID 130333673
12-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[3,2-a]carbazole;12-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 158409057
14-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130333723
12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334407
12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
12-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 118888305
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-21-oxa-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 118635233
12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 130334090
12-[3-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 130333583
12-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 130334084
14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130334281

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole?
The IUPAC name of 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole (CID 130333574) is 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole.
What is the SMILES notation for 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole?
The canonical SMILES for 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole is CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)nc21.
What is the InChIKey of 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole?
The InChIKey is ASHAABYDWIQLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c1-37(2)27-17-9-6-15-25(27)32-33(22-12-4-3-5-13-22)38-36(39-35(32)37)40-28-18-10-7-14-23(28)24-20-21-30-31(34(24)40)26-16-8-11-19-29(26)41-30/h3-21H,1-2H3.
What are the key properties of 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole?
12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole has a molecular weight of 527.63 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole is sourced from PubChem (CID 130333574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).