4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine

C43H29N3O — CID 130334302

IUPAC4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)nc2oc3ccccc3c12
InChIInChI=1S/C43H29N3O/c1-43(2)32-20-10-6-16-27(32)28-24-25-35-37(39(28)43)29-17-7-11-21-33(29)46(35)34-22-12-8-18-30(34)40-38-31-19-9-13-23-36(31)47-42(38)45-41(44-40)26-14-4-3-5-15-26/h3-25H,1-2H3
InChIKeyCCDHPNUFKSHKEC-UHFFFAOYSA-N
MW603.73 g/mol
LogP11.11
Rot. Bonds3

About 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine

4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 130334302) has the molecular formula C43H29N3O and a molecular weight of 603.73 g/mol. Its IUPAC name is 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID130334302
Molecular FormulaC43H29N3O
Molecular Weight603.73 g/mol
Exact Mass603.23
IUPAC Name4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)nc2oc3ccccc3c12
InChIInChI=1S/C43H29N3O/c1-43(2)32-20-10-6-16-27(32)28-24-25-35-37(39(28)43)29-17-7-11-21-33(29)46(35)34-22-12-8-18-30(34)40-38-31-19-9-13-23-36(31)47-42(38)45-41(44-40)26-14-4-3-5-15-26/h3-25H,1-2H3
InChIKeyCCDHPNUFKSHKEC-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 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine with MolForge

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Related Compounds

14-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-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 130334250
2-[2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333494
5-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155160065
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155636706
2-[1-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)dibenzofuran-4-yl]-4,6-diphenylpyrimidine-5-carbonitrile
CID 155159779
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
12-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 130334407
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
12,12-dimethyl-5-[3-(2-phenylquinazolin-4-yl)phenyl]indeno[1,2-c]carbazole
CID 139422523
4-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine;5-[3-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole;2-phenyl-4-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158730008
9-dibenzofuran-4-yl-23,23-dimethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 122464597
5-[3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 156679291

Frequently Asked Questions

What is the IUPAC name of 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine (CID 130334302) is 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1nc(-c2ccccc2)nc2oc3ccccc3c12.
What is the InChIKey of 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is CCDHPNUFKSHKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3O/c1-43(2)32-20-10-6-16-27(32)28-24-25-35-37(39(28)43)29-17-7-11-21-33(29)46(35)34-22-12-8-18-30(34)40-38-31-19-9-13-23-36(31)47-42(38)45-41(44-40)26-14-4-3-5-15-26/h3-25H,1-2H3.
What are the key properties of 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine?
4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-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 4-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 130334302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).