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

C43H29N3O — CID 130334090

IUPAC12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc(-c3ccccc3)nc21
InChIInChI=1S/C43H29N3O/c1-43(2)33-20-10-6-18-31(33)37-38(44-42(45-41(37)43)26-14-4-3-5-15-26)32-19-8-12-22-35(32)46-34-21-11-7-16-27(34)29-24-25-30-28-17-9-13-23-36(28)47-40(30)39(29)46/h3-25H,1-2H3
InChIKeyHWDMQGOTBGTDBA-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.11
Rot. Bonds3

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

12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 130334090) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID130334090
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc(-c3ccccc3)nc21
InChIInChI=1S/C43H29N3O/c1-43(2)33-20-10-6-18-31(33)37-38(44-42(45-41(37)43)26-14-4-3-5-15-26)32-19-8-12-22-35(32)46-34-21-11-7-16-27(34)29-24-25-30-28-17-9-13-23-36(28)47-40(30)39(29)46/h3-25H,1-2H3
InChIKeyHWDMQGOTBGTDBA-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 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]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
12-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 130334084
12-(9,9-dimethylfluoren-1-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 146761337
12-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-[1]benzofuro[2,3-a]carbazole
CID 130333810
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
12-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[3,2-a]carbazole
CID 130333574
5-[2-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 130333781
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822
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
7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333620
2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333494
5-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 130334179

Frequently Asked Questions

What is the IUPAC name of 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 130334090) is 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole is CC1(C)c2ccccc2-c2c(-c3ccccc3-n3c4ccccc4c4ccc5c6ccccc6oc5c43)nc(-c3ccccc3)nc21.
What is the InChIKey of 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is HWDMQGOTBGTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-43(2)33-20-10-6-18-31(33)37-38(44-42(45-41(37)43)26-14-4-3-5-15-26)32-19-8-12-22-35(32)46-34-21-11-7-16-27(34)29-24-25-30-28-17-9-13-23-36(28)47-40(30)39(29)46/h3-25H,1-2H3.
What are the key properties of 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]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 12-[2-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 130334090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).