3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C138H82N8O3 — CID 159109526

IUPAC3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)nc4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)ccc32)cc1
InChIInChI=1S/C48H29N3O.C46H27N3O.C44H26N2O/c1-3-11-30(12-4-1)40-29-41(31-13-5-2-6-14-31)50-48(49-40)33-23-25-36(26-24-33)51-42-19-9-15-32-21-22-34-27-35(28-43(51)46(34)45(32)42)37-17-10-18-39-38-16-7-8-20-44(38)52-47(37)39;1-2-10-28(11-3-1)29-20-23-31(24-21-29)44-37-14-4-6-17-38(37)47-46(48-44)49-39-18-8-12-30-22-25-32-26-33(27-40(49)43(32)42(30)39)34-15-9-16-36-35-13-5-7-19-41(35)50-45(34)36;1-2-11-30(12-3-1)45-37-17-6-4-13-33(37)36-26-31(22-23-38(36)45)46-39-18-8-10-27-20-21-28-24-29(25-40(46)43(28)42(27)39)32-15-9-16-35-34-14-5-7-19-41(34)47-44(32)35/h1-29H;1-27H;1-26H
InChIKeyKEHRVYDHRBFNNI-UHFFFAOYSA-N
MW1900.23 g/mol
LogP36.99
Rot. Bonds12

About 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 159109526) has the molecular formula C138H82N8O3 and a molecular weight of 1900.23 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
PubChem CID159109526
Molecular FormulaC138H82N8O3
Molecular Weight1900.23 g/mol
Exact Mass1898.65
IUPAC Name3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)nc4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)ccc32)cc1
InChIInChI=1S/C48H29N3O.C46H27N3O.C44H26N2O/c1-3-11-30(12-4-1)40-29-41(31-13-5-2-6-14-31)50-48(49-40)33-23-25-36(26-24-33)51-42-19-9-15-32-21-22-34-27-35(28-43(51)46(34)45(32)42)37-17-10-18-39-38-16-7-8-20-44(38)52-47(37)39;1-2-10-28(11-3-1)29-20-23-31(24-21-29)44-37-14-4-6-17-38(37)47-46(48-44)49-39-18-8-12-30-22-25-32-26-33(27-40(49)43(32)42(30)39)34-15-9-16-36-35-13-5-7-19-41(35)50-45(34)36;1-2-11-30(12-3-1)45-37-17-6-4-13-33(37)36-26-31(22-23-38(36)45)46-39-18-8-10-27-20-21-28-24-29(25-40(46)43(28)42(27)39)32-15-9-16-35-34-14-5-7-19-41(34)47-44(32)35/h1-29H;1-27H;1-26H
InChIKeyKEHRVYDHRBFNNI-UHFFFAOYSA-N
XLogP36.99
TPSA110.70 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001900.23
LogP ≤ 536.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene with MolForge

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Related Compounds

3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
2-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-dibenzofuran-4-yl-9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 159982743
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 123298725
3-dibenzofuran-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-(4-dibenzofuran-4-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;9-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 159354385
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158764250
5-[3-phenyl-5-[3-[3-[3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 146215678
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-phenylcarbazole
CID 161237045
9-(4-dibenzofuran-4-ylphenyl)-2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 118149434
3-[7-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 139342628
3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-4-ylnaphthalen-1-yl)-9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazole;3-(5-dibenzofuran-2-ylnaphthalen-1-yl)-9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 159689631
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 157374919
4-(4-dibenzofuran-4-ylphenyl)-2,6,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole;6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-2,4,9-triphenylpyrimido[4,5-b]indole
CID 158901392

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The IUPAC name of 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 159109526) is 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.
What is the SMILES notation for 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The canonical SMILES for 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)nc4ccccc34)cc2)cc1.c1ccc(-n2c3ccccc3c3cc(-n4c5cccc6ccc7cc(-c8cccc9c8oc8ccccc89)cc4c7c65)ccc32)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
The InChIKey is KEHRVYDHRBFNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O.C46H27N3O.C44H26N2O/c1-3-11-30(12-4-1)40-29-41(31-13-5-2-6-14-31)50-48(49-40)33-23-25-36(26-24-33)51-42-19-9-15-32-21-22-34-27-35(28-43(51)46(34)45(32)42)37-17-10-18-39-38-16-7-8-20-44(38)52-47(37)39;1-2-10-28(11-3-1)29-20-23-31(24-21-29)44-37-14-4-6-17-38(37)47-46(48-44)49-39-18-8-12-30-22-25-32-26-33(27-40(49)43(32)42(30)39)34-15-9-16-36-35-13-5-7-19-41(35)50-45(34)36;1-2-11-30(12-3-1)45-37-17-6-4-13-33(37)36-26-31(22-23-38(36)45)46-39-18-8-10-27-20-21-28-24-29(25-40(46)43(28)42(27)39)32-15-9-16-35-34-14-5-7-19-41(34)47-44(32)35/h1-29H;1-27H;1-26H.
What are the key properties of 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?
3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 1900.23 g/mol, XLogP of 36.99, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-(9-phenylcarbazol-3-yl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene;3-dibenzofuran-4-yl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 159109526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).