4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine

C46H26N4O2 — CID 177271441

IUPAC4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)ccc12
InChIInChI=1S/C46H26N4O2/c1-7-19-35-27(13-1)28-14-2-8-20-36(28)49(35)42-34(26-25-32-31-17-5-11-23-39(31)51-43(32)42)45-47-41-33-18-6-12-24-40(33)52-44(41)46(48-45)50-37-21-9-3-15-29(37)30-16-4-10-22-38(30)50/h1-26H
InChIKeyQGVMBNCPBPVSFX-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.14
Rot. Bonds3

About 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine

4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 177271441) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID177271441
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2c(c1)oc1c(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)ccc12
InChIInChI=1S/C46H26N4O2/c1-7-19-35-27(13-1)28-14-2-8-20-36(28)49(35)42-34(26-25-32-31-17-5-11-23-39(31)51-43(32)42)45-47-41-33-18-6-12-24-40(33)52-44(41)46(48-45)50-37-21-9-3-15-29(37)30-16-4-10-22-38(30)50/h1-26H
InChIKeyQGVMBNCPBPVSFX-UHFFFAOYSA-N
XLogP12.14
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine
CID 118232289
4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170529283
4-carbazol-9-yl-2-[2-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 177271432
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-benzo[b]carbazol-5-yl-2-(9,9'-spirobi[fluorene]-4'-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146392119
4-(3,19-diazaoctacyclo[17.10.1.02,10.04,9.012,30.013,18.020,29.021,26]triaconta-1(30),2(10),4,6,8,11,13,15,17,20(29),21,23,25,27-tetradecaen-3-yl)-2-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 138709187
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-oxa-1-azaoctacyclo[19.10.1.02,14.03,11.05,10.015,20.025,32.026,31]dotriaconta-2(14),3(11),5,7,9,12,15,17,19,21(32),22,24,26,28,30-pentadecaene
CID 168728525
5-[2,6-diphenyl-4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146281129
5-[3-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166699199
2-phenyl-4-(24-thia-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 130222389
5-[3-[4-dibenzothiophen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 166700137
5-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole
CID 167347968

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 177271441) is 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc2c(c1)oc1c(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)c4oc5ccccc5c4n3)ccc12.
What is the InChIKey of 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is QGVMBNCPBPVSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-7-19-35-27(13-1)28-14-2-8-20-36(28)49(35)42-34(26-25-32-31-17-5-11-23-39(31)51-43(32)42)45-47-41-33-18-6-12-24-40(33)52-44(41)46(48-45)50-37-21-9-3-15-29(37)30-16-4-10-22-38(30)50/h1-26H.
What are the key properties of 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine?
4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 666.74 g/mol, XLogP of 12.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-(4-carbazol-9-yldibenzofuran-3-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 177271441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).