2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine

C32H25N3O — CID 130258102

IUPAC2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2c(n1)oc1ccccc12
InChIInChI=1S/C32H25N3O/c1-32(2,3)31-33-29(28-24-14-8-10-16-27(24)36-30(28)34-31)20-17-18-23-22-13-7-9-15-25(22)35(26(23)19-20)21-11-5-4-6-12-21/h4-19H,1-3H3
InChIKeySYWQOCRRWVEHDK-UHFFFAOYSA-N
MW467.57 g/mol
LogP8.44
Rot. Bonds2

About 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine

2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 130258102) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
PubChem CID130258102
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC Name2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
SMILESCC(C)(C)c1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2c(n1)oc1ccccc12
InChIInChI=1S/C32H25N3O/c1-32(2,3)31-33-29(28-24-14-8-10-16-27(24)36-30(28)34-31)20-17-18-23-22-13-7-9-15-25(22)35(26(23)19-20)21-11-5-4-6-12-21/h4-19H,1-3H3
InChIKeySYWQOCRRWVEHDK-UHFFFAOYSA-N
XLogP8.44
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130266702
4-iodo-2-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 134403705
2-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 163454838
22-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-19-(9-phenylcarbazol-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaene
CID 126621816
4-phenyl-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 130333492
2-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129224914
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130333597
2-(4-benzo[b]carbazol-5-ylphenyl)-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine
CID 146392014
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
2-[3-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 163495348
2-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333643
4-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 170050861

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine (CID 130258102) is 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine is CC(C)(C)c1nc(-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2c(n1)oc1ccccc12.
What is the InChIKey of 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is SYWQOCRRWVEHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c1-32(2,3)31-33-29(28-24-14-8-10-16-27(24)36-30(28)34-31)20-17-18-23-22-13-7-9-15-25(22)35(26(23)19-20)21-11-5-4-6-12-21/h4-19H,1-3H3.
What are the key properties of 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine?
2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 467.57 g/mol, XLogP of 8.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(9-phenylcarbazol-2-yl)-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 130258102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).