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

C27H16N4O — CID 118232441

IUPAC2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-c3ccncc3)c12
InChIInChI=1S/C27H16N4O/c1-4-10-21-18(7-1)19-8-2-5-11-22(19)31(21)27-29-25(17-13-15-28-16-14-17)24-20-9-3-6-12-23(20)32-26(24)30-27/h1-16H
InChIKeyNVDXDYJDBNZZCG-UHFFFAOYSA-N
MW412.45 g/mol
LogP6.54
Rot. Bonds2

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

2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 118232441) has the molecular formula C27H16N4O and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID118232441
Molecular FormulaC27H16N4O
Molecular Weight412.45 g/mol
Exact Mass412.13
IUPAC Name2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-c3ccncc3)c12
InChIInChI=1S/C27H16N4O/c1-4-10-21-18(7-1)19-8-2-5-11-22(19)31(21)27-29-25(17-13-15-28-16-14-17)24-20-9-3-6-12-23(20)32-26(24)30-27/h1-16H
InChIKeyNVDXDYJDBNZZCG-UHFFFAOYSA-N
XLogP6.54
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.45
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 130333587
22-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 126621638
2-(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)-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 130260390
4-phenyl-2-(12-pyren-1-ylindolo[3,2-c]carbazol-5-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 163619640
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
3-carbazol-9-yl-1-(4-phenylphenyl)-[1]benzofuro[3,2-f]quinazoline
CID 147334137
4-phenyl-2-(21-phenyl-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(23),19,21-dodecaen-17-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 130258933
24-(4-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidin-2-yl)-3-oxa-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 154593131
2-(12,21-diazaoctacyclo[17.10.1.02,11.05,10.012,30.013,18.020,28.022,27]triaconta-1(30),2(11),3,5,7,9,13,15,17,19,22,24,26,28-tetradecaen-21-yl)-4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 130259999
4-dibenzofuran-2-yl-2-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 129224921
3-benzo[b]carbazol-5-yl-2-pyridin-4-yl-[1]benzofuro[2,3-b]pyrazine
CID 146391647
2-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]-4-naphthalen-1-yl-[1]benzofuro[2,3-d]pyrimidine
CID 163430992

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine (CID 118232441) is 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine is c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-c3ccncc3)c12.
What is the InChIKey of 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is NVDXDYJDBNZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4O/c1-4-10-21-18(7-1)19-8-2-5-11-22(19)31(21)27-29-25(17-13-15-28-16-14-17)24-20-9-3-6-12-23(20)32-26(24)30-27/h1-16H.
What are the key properties of 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine?
2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 412.45 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-4-pyridin-4-yl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 118232441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).