2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)

C126H75N17O5 — CID 157092549

About 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)

2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine) (PubChem CID 157092549) has the molecular formula C126H75N17O5 and a molecular weight of 1907.10 g/mol. Its IUPAC name is 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine).

Molecular Properties

• Compound Name: 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)
• PubChem CID: 157092549
• Molecular Formula: C126H75N17O5
• Molecular Weight: 1907.10 g/mol
• Exact Mass: 1905.61
• IUPAC Name: 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)
• SMILES: c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2oc2ccccc23)cc1.c1ccc2c(c1)oc1c(-c3ccncc3)nc(-n3c4ccccc4c4ccccc43)nc12.c1ccc2c(c1)oc1c(-c3ccncc3)nc(-n3c4ccccc4c4ccccc43)nc12.c1ccc2c(c1)oc1c(-n3c4ccccc4c4ccccc43)ncnc12.c1ccc2c(c1)oc1cnc(-n3c4ccccc4c4ccccc43)nc12
• InChI: InChI=1S/C28H17N3O.2C27H16N4O.2C22H13N3O/c1-2-10-18(11-3-1)25-27-26(21-14-6-9-17-24(21)32-27)30-28(29-25)31-22-15-7-4-12-19(22)20-13-5-8-16-23(20)31;2*1-4-10-21-18(7-1)19-8-2-5-11-22(19)31(21)27-29-24(17-13-15-28-16-14-17)26-25(30-27)20-9-3-6-12-23(20)32-26;1-4-10-17-14(7-1)15-8-2-5-11-18(15)25(17)22-21-20(23-13-24-22)16-9-3-6-12-19(16)26-21;1-4-10-17-14(7-1)15-8-2-5-11-18(15)25(17)22-23-13-20-21(24-22)16-9-3-6-12-19(16)26-20/h1-17H;2*1-16H;2*1-13H
• InChIKey: AEVGDNPMLTWEGT-UHFFFAOYSA-N
• XLogP: 31.16
• TPSA: 245.03 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.10
LogP ≤ 5	31.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)?

The IUPAC name of 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine) (CID 157092549) is 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine).

What is the SMILES notation for 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)?

The canonical SMILES for 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine) is c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2oc2ccccc23)cc1.c1ccc2c(c1)oc1c(-c3ccncc3)nc(-n3c4ccccc4c4ccccc43)nc12.c1ccc2c(c1)oc1c(-c3ccncc3)nc(-n3c4ccccc4c4ccccc43)nc12.c1ccc2c(c1)oc1c(-n3c4ccccc4c4ccccc43)ncnc12.c1ccc2c(c1)oc1cnc(-n3c4ccccc4c4ccccc43)nc12.

What is the InChIKey of 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)?

The InChIKey is AEVGDNPMLTWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3O.2C27H16N4O.2C22H13N3O/c1-2-10-18(11-3-1)25-27-26(21-14-6-9-17-24(21)32-27)30-28(29-25)31-22-15-7-4-12-19(22)20-13-5-8-16-23(20)31;2*1-4-10-21-18(7-1)19-8-2-5-11-22(19)31(21)27-29-24(17-13-15-28-16-14-17)26-25(30-27)20-9-3-6-12-23(20)32-26;1-4-10-17-14(7-1)15-8-2-5-11-18(15)25(17)22-21-20(23-13-24-22)16-9-3-6-12-19(16)26-21;1-4-10-17-14(7-1)15-8-2-5-11-18(15)25(17)22-23-13-20-21(24-22)16-9-3-6-12-19(16)26-20/h1-17H;2*1-16H;2*1-13H.

What are the key properties of 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine)?

2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine) has a molecular weight of 1907.10 g/mol, XLogP of 31.16, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;4-carbazol-9-yl-[1]benzofuro[3,2-d]pyrimidine;2-carbazol-9-yl-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;bis(2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[3,2-d]pyrimidine) is sourced from PubChem (CID 157092549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).