4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine

C22H12ClN3O — CID 118232289

IUPAC4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c2n1
InChIInChI=1S/C22H12ClN3O/c23-22-24-19-15-9-3-6-12-18(15)27-20(19)21(25-22)26-16-10-4-1-7-13(16)14-8-2-5-11-17(14)26/h1-12H
InChIKeySDWMUHITBFIKMW-UHFFFAOYSA-N
MW369.81 g/mol
LogP6.13
Rot. Bonds1

About 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine

4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 118232289) has the molecular formula C22H12ClN3O and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID118232289
Molecular FormulaC22H12ClN3O
Molecular Weight369.81 g/mol
Exact Mass369.07
IUPAC Name4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1nc(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c2n1
InChIInChI=1S/C22H12ClN3O/c23-22-24-19-15-9-3-6-12-18(15)27-20(19)21(25-22)26-16-10-4-1-7-13(16)14-8-2-5-11-17(14)26/h1-12H
InChIKeySDWMUHITBFIKMW-UHFFFAOYSA-N
XLogP6.13
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.81
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-pyrrolidin-1-yl-[1]benzofuro[3,2-d]pyrimidine
CID 166124766
4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 177271441
2-chloro-4-[3-ethenyl-4-(2-methylphenyl)-5-thia-20-azapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),3,7,9,11,14,16,18-nonaen-20-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 137421891
4-carbazol-9-yl-2-[2-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 177271432
2-chloro-4-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[3,2-d]pyrimidine;2,4-dichloro-[1]benzofuro[3,2-d]pyrimidine;3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 157375131
4-carbazol-9-yl-2-(13,23-diazaoctacyclo[14.13.1.02,14.03,12.06,11.017,22.023,30.024,29]triaconta-1(30),2(14),3(12),4,6,8,10,15,17,19,21,24,26,28-tetradecaen-13-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130259399
2-chloro-4-(3-chlorophenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118233853
4-(8,17-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.018,23]hexacosa-1(25),2,4,6,9,11,13,15(26),16(24),18,20,22-dodecaen-17-yl)-2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 130258631
4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170529283
4-benzo[b]carbazol-5-yl-2-(9,9'-spirobi[fluorene]-4'-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146392119
3-carbazol-9-yl-1-(3-carbazol-9-ylcarbazol-9-yl)-[1]benzofuro[2,3-c]pyridine
CID 59413710
4-chloro-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 603361

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine (CID 118232289) is 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine is Clc1nc(-n2c3ccccc3c3ccccc32)c2oc3ccccc3c2n1.
What is the InChIKey of 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is SDWMUHITBFIKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClN3O/c23-22-24-19-15-9-3-6-12-18(15)27-20(19)21(25-22)26-16-10-4-1-7-13(16)14-8-2-5-11-17(14)26/h1-12H.
What are the key properties of 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine?
4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 369.81 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 118232289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).