bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C280H168N28O8 — CID 158683970

IUPACbis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5ccccc5c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc5oc6ccccc6c45)ccc32)cc1.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/2C40H24N4O.4C34H20N4O.2C32H20N2O/c2*1-2-12-26(13-3-1)43-32-18-8-6-16-29(32)31-24-25(22-23-35(31)43)38-37-30-17-7-11-21-36(30)45-39(37)42-40(41-38)44-33-19-9-4-14-27(33)28-15-5-10-20-34(28)44;4*1-6-16-26-21(11-1)22-12-2-7-17-27(22)37(26)32-31-25-15-5-10-20-30(25)39-33(31)36-34(35-32)38-28-18-8-3-13-23(28)24-14-4-9-19-29(24)38;1-3-9-21(10-4-1)22-15-17-25(18-16-22)31-33-30(24-12-5-2-6-13-24)29-28-26-14-8-7-11-23(26)19-20-27(28)35-32(29)34-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)31-33-30(23-11-5-2-6-12-23)29-27-19-25-13-7-8-14-26(25)20-28(27)35-32(29)34-31/h2*1-24H;4*1-20H;2*1-20H
InChIKeyIFMMVYRZOCTOLN-UHFFFAOYSA-N
MW4052.61 g/mol
LogP71.82
Rot. Bonds20

About bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene

bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 158683970) has the molecular formula C280H168N28O8 and a molecular weight of 4052.61 g/mol. Its IUPAC name is bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

Compound Namebis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
PubChem CID158683970
Molecular FormulaC280H168N28O8
Molecular Weight4052.61 g/mol
Exact Mass4049.36
IUPAC Namebis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5ccccc5c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc5oc6ccccc6c45)ccc32)cc1.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/2C40H24N4O.4C34H20N4O.2C32H20N2O/c2*1-2-12-26(13-3-1)43-32-18-8-6-16-29(32)31-24-25(22-23-35(31)43)38-37-30-17-7-11-21-36(30)45-39(37)42-40(41-38)44-33-19-9-4-14-27(33)28-15-5-10-20-34(28)44;4*1-6-16-26-21(11-1)22-12-2-7-17-27(22)37(26)32-31-25-15-5-10-20-30(25)39-33(31)36-34(35-32)38-28-18-8-3-13-23(28)24-14-4-9-19-29(24)38;1-3-9-21(10-4-1)22-15-17-25(18-16-22)31-33-30(24-12-5-2-6-13-24)29-28-26-14-8-7-11-23(26)19-20-27(28)35-32(29)34-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)31-33-30(23-11-5-2-6-12-23)29-27-19-25-13-7-8-14-26(25)20-28(27)35-32(29)34-31/h2*1-24H;4*1-20H;2*1-20H
InChIKeyIFMMVYRZOCTOLN-UHFFFAOYSA-N
XLogP71.82
TPSA370.52 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004052.61
LogP ≤ 571.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene with MolForge

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Related Compounds

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
2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
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
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
10-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]dibenzofuran-1-yl]-7-phenylbenzo[c]carbazole
CID 138475112
6-(8-benzo[b]carbazol-5-ylnaphtho[2,1-b][1]benzofuran-11-yl)-2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312077
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine;13-[1-(9-phenylcarbazol-3-yl)benzo[f]quinazolin-3-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene;13-[4-(9-phenylcarbazol-3-yl)benzo[h]quinazolin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 163531586
7,18-diphenyl-22-(16-phenyl-11-thia-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaen-14-yl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4(9),5,7,11,13,15(23),16(21),17,19-undecaene;4-(6-phenylnaphthalen-2-yl)-2-(3-thia-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-undecaen-22-yl)-[1]benzofuro[2,3-d]pyrimidine;4-phenyl-2-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158070718
3-(4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 163772071
7-[3-(4-phenyl-[1]benzofuro[2,3-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130333597
5-[2-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]benzene-1,3-dicarbonitrile
CID 167250856
14-phenyl-12-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 129129246

Frequently Asked Questions

What is the IUPAC name of bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The IUPAC name of bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 158683970) is bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene.
What is the SMILES notation for bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The canonical SMILES for bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3cc5ccccc5cc34)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c(n3)oc3ccc5ccccc5c34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc5oc6ccccc6c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4nc(-n5c6ccccc6c6ccccc65)nc5oc6ccccc6c45)ccc32)cc1.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.c1ccc2c(c1)oc1nc(-n3c4ccccc4c4ccccc43)nc(-n3c4ccccc4c4ccccc43)c12.
What is the InChIKey of bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
The InChIKey is IFMMVYRZOCTOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H24N4O.4C34H20N4O.2C32H20N2O/c2*1-2-12-26(13-3-1)43-32-18-8-6-16-29(32)31-24-25(22-23-35(31)43)38-37-30-17-7-11-21-36(30)45-39(37)42-40(41-38)44-33-19-9-4-14-27(33)28-15-5-10-20-34(28)44;4*1-6-16-26-21(11-1)22-12-2-7-17-27(22)37(26)32-31-25-15-5-10-20-30(25)39-33(31)36-34(35-32)38-28-18-8-3-13-23(28)24-14-4-9-19-29(24)38;1-3-9-21(10-4-1)22-15-17-25(18-16-22)31-33-30(24-12-5-2-6-13-24)29-28-26-14-8-7-11-23(26)19-20-27(28)35-32(29)34-31;1-3-9-21(10-4-1)22-15-17-24(18-16-22)31-33-30(23-11-5-2-6-12-23)29-27-19-25-13-7-8-14-26(25)20-28(27)35-32(29)34-31/h2*1-24H;4*1-20H;2*1-20H.
What are the key properties of bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene?
bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 4052.61 g/mol, XLogP of 71.82, 20 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-carbazol-9-yl-4-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-d]pyrimidine);tetrakis(2,4-di(carbazol-9-yl)-[1]benzofuro[2,3-d]pyrimidine);12-phenyl-14-(4-phenylphenyl)-17-oxa-13,15-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;16-phenyl-14-(4-phenylphenyl)-11-oxa-13,15-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 158683970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).