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

C242H153N15O5 — CID 163495348

IUPAC2-[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
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)oc5ccccc56)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6c6cc(-c8ccccc8)ccc6n7-c6ccccc6)c5)c4)c4c(n3)oc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4c(n3)oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3oc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)nc3oc4ccccc4c23)cc1
InChIInChI=1S/C58H37N3O.C52H33N3O.2C46H29N3O.C40H25N3O/c1-4-16-38(17-5-1)40-20-14-25-46(36-40)57-59-56(55-49-28-10-11-31-53(49)62-58(55)60-57)45-24-13-22-42(35-45)41-21-12-23-44(34-41)48-29-15-30-52-54(48)50-37-43(39-18-6-2-7-19-39)32-33-51(50)61(52)47-26-8-3-9-27-47;1-3-15-34(16-4-1)35-17-13-22-40(33-35)51-53-50(49-44-26-8-10-30-47(44)56-52(49)54-51)39-21-12-19-37(32-39)36-18-11-20-38(31-36)42-27-14-29-46-48(42)43-25-7-9-28-45(43)55(46)41-23-5-2-6-24-41;1-4-13-30(14-5-1)33-23-25-40-38(28-33)39-29-34(24-26-41(39)49(40)36-19-8-3-9-20-36)32-17-12-18-35(27-32)45-47-44(31-15-6-2-7-16-31)43-37-21-10-11-22-42(37)50-46(43)48-45;1-3-13-30(14-4-1)44-43-38-22-8-10-24-42(38)50-46(43)48-45(47-44)35-18-12-17-33(28-35)31-15-11-16-32(27-31)34-25-26-41-39(29-34)37-21-7-9-23-40(37)49(41)36-19-5-2-6-20-36;1-3-12-26(13-4-1)38-37-32-19-8-10-21-36(32)44-40(37)42-39(41-38)29-15-11-14-27(24-29)28-22-23-35-33(25-28)31-18-7-9-20-34(31)43(35)30-16-5-2-6-17-30/h1-37H;1-33H;2*1-29H;1-25H
InChIKeyCQFKHFKOPGXFEF-UHFFFAOYSA-N
MW3350.99 g/mol
LogP64.04
Rot. Bonds27

About 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

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 (PubChem CID 163495348) has the molecular formula C242H153N15O5 and a molecular weight of 3350.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163495348
Molecular FormulaC242H153N15O5
Molecular Weight3350.99 g/mol
Exact Mass3348.22
IUPAC Name2-[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
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)oc5ccccc56)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6c6cc(-c8ccccc8)ccc6n7-c6ccccc6)c5)c4)c4c(n3)oc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4c(n3)oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3oc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)nc3oc4ccccc4c23)cc1
InChIInChI=1S/C58H37N3O.C52H33N3O.2C46H29N3O.C40H25N3O/c1-4-16-38(17-5-1)40-20-14-25-46(36-40)57-59-56(55-49-28-10-11-31-53(49)62-58(55)60-57)45-24-13-22-42(35-45)41-21-12-23-44(34-41)48-29-15-30-52-54(48)50-37-43(39-18-6-2-7-19-39)32-33-51(50)61(52)47-26-8-3-9-27-47;1-3-15-34(16-4-1)35-17-13-22-40(33-35)51-53-50(49-44-26-8-10-30-47(44)56-52(49)54-51)39-21-12-19-37(32-39)36-18-11-20-38(31-36)42-27-14-29-46-48(42)43-25-7-9-28-45(43)55(46)41-23-5-2-6-24-41;1-4-13-30(14-5-1)33-23-25-40-38(28-33)39-29-34(24-26-41(39)49(40)36-19-8-3-9-20-36)32-17-12-18-35(27-32)45-47-44(31-15-6-2-7-16-31)43-37-21-10-11-22-42(37)50-46(43)48-45;1-3-13-30(14-4-1)44-43-38-22-8-10-24-42(38)50-46(43)48-45(47-44)35-18-12-17-33(28-35)31-15-11-16-32(27-31)34-25-26-41-39(29-34)37-21-7-9-23-40(37)49(41)36-19-5-2-6-20-36;1-3-12-26(13-4-1)38-37-32-19-8-10-21-36(32)44-40(37)42-39(41-38)29-15-11-14-27(24-29)28-22-23-35-33(25-28)31-18-7-9-20-34(31)43(35)30-16-5-2-6-17-30/h1-37H;1-33H;2*1-29H;1-25H
InChIKeyCQFKHFKOPGXFEF-UHFFFAOYSA-N
XLogP64.04
TPSA219.25 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds27
Heavy Atoms262
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003350.99
LogP ≤ 564.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)oc5ccccc56)c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6c6cc(-c8ccccc8)ccc6n7-c6ccccc6)c5)c4)c4c(n3)oc3ccccc34)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)c4)c4c(n3)oc3ccccc34)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc3oc4ccccc4c23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)nc3oc4ccccc4c23)cc1.
What is the InChIKey of 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?
The InChIKey is CQFKHFKOPGXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O.C52H33N3O.2C46H29N3O.C40H25N3O/c1-4-16-38(17-5-1)40-20-14-25-46(36-40)57-59-56(55-49-28-10-11-31-53(49)62-58(55)60-57)45-24-13-22-42(35-45)41-21-12-23-44(34-41)48-29-15-30-52-54(48)50-37-43(39-18-6-2-7-19-39)32-33-51(50)61(52)47-26-8-3-9-27-47;1-3-15-34(16-4-1)35-17-13-22-40(33-35)51-53-50(49-44-26-8-10-30-47(44)56-52(49)54-51)39-21-12-19-37(32-39)36-18-11-20-38(31-36)42-27-14-29-46-48(42)43-25-7-9-28-45(43)55(46)41-23-5-2-6-24-41;1-4-13-30(14-5-1)33-23-25-40-38(28-33)39-29-34(24-26-41(39)49(40)36-19-8-3-9-20-36)32-17-12-18-35(27-32)45-47-44(31-15-6-2-7-16-31)43-37-21-10-11-22-42(37)50-46(43)48-45;1-3-13-30(14-4-1)44-43-38-22-8-10-24-42(38)50-46(43)48-45(47-44)35-18-12-17-33(28-35)31-15-11-16-32(27-31)34-25-26-41-39(29-34)37-21-7-9-23-40(37)49(41)36-19-5-2-6-20-36;1-3-12-26(13-4-1)38-37-32-19-8-10-21-36(32)44-40(37)42-39(41-38)29-15-11-14-27(24-29)28-22-23-35-33(25-28)31-18-7-9-20-34(31)43(35)30-16-5-2-6-17-30/h1-37H;1-33H;2*1-29H;1-25H.
What are the key properties of 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?
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 has a molecular weight of 3350.99 g/mol, XLogP of 64.04, 27 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163495348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).