2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine

C135H79N9O4 — CID 165025944

IUPAC2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cc(-c4cccc5oc6ccccc6c45)cc4ccccc34)n2)cc1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.c1ccc2c(c1)ccc1cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)ccc12
InChIInChI=1S/C49H29N3O.C45H27N3O.C41H23N3O2/c1-3-14-34-32(12-1)28-42(39-18-7-5-16-37(34)39)48-50-47(51-49(52-48)43-29-33-13-2-4-15-35(33)38-17-6-8-19-40(38)43)31-26-24-30(25-27-31)36-21-11-23-45-46(36)41-20-9-10-22-44(41)53-45;1-2-12-29(13-3-1)43-46-44(32-23-24-36-31(25-32)22-21-28-11-4-6-15-34(28)36)48-45(47-43)39-27-33(26-30-14-5-7-16-35(30)39)37-18-10-20-41-42(37)38-17-8-9-19-40(38)49-41;1-2-10-27-24(9-1)19-20-25-23-26(21-22-28(25)27)39-42-40(32-14-8-18-36-37(32)31-12-4-6-17-35(31)45-36)44-41(43-39)33-15-7-13-30-29-11-3-5-16-34(29)46-38(30)33/h1-29H;1-27H;1-23H
InChIKeyLWQNLJIYYFCCLZ-UHFFFAOYSA-N
MW1891.18 g/mol
LogP35.93
Rot. Bonds11

About 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine (PubChem CID 165025944) has the molecular formula C135H79N9O4 and a molecular weight of 1891.18 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
PubChem CID165025944
Molecular FormulaC135H79N9O4
Molecular Weight1891.18 g/mol
Exact Mass1889.63
IUPAC Name2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cc(-c4cccc5oc6ccccc6c45)cc4ccccc34)n2)cc1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.c1ccc2c(c1)ccc1cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)ccc12
InChIInChI=1S/C49H29N3O.C45H27N3O.C41H23N3O2/c1-3-14-34-32(12-1)28-42(39-18-7-5-16-37(34)39)48-50-47(51-49(52-48)43-29-33-13-2-4-15-35(33)38-17-6-8-19-40(38)43)31-26-24-30(25-27-31)36-21-11-23-45-46(36)41-20-9-10-22-44(41)53-45;1-2-12-29(13-3-1)43-46-44(32-23-24-36-31(25-32)22-21-28-11-4-6-15-34(28)36)48-45(47-43)39-27-33(26-30-14-5-7-16-35(30)39)37-18-10-20-41-42(37)38-17-8-9-19-40(38)49-41;1-2-10-27-24(9-1)19-20-25-23-26(21-22-28(25)27)39-42-40(32-14-8-18-36-37(32)31-12-4-6-17-35(31)45-36)44-41(43-39)33-15-7-13-30-29-11-3-5-16-34(29)46-38(30)33/h1-29H;1-27H;1-23H
InChIKeyLWQNLJIYYFCCLZ-UHFFFAOYSA-N
XLogP35.93
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001891.18
LogP ≤ 535.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 167181780
2-chrysen-2-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine
CID 170131612
2-dibenzofuran-1-yl-4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-1-yl-4-[3-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[2-[8-(4-phenanthren-2-ylphenyl)dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 160563404
2-(3-dibenzofuran-4-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 170363777
2-dibenzofuran-1-yl-4-(7-phenylphenanthren-9-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-(10-phenylphenanthren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 164965307
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-(8-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742596
2-[4-(3-dibenzofuran-4-yldibenzofuran-1-yl)naphthalen-2-yl]-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166741750
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenanthren-9-yl-1,3,5-triazine
CID 158758823
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925
2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenanthren-9-yl-1,3,5-triazine
CID 139304153

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine (CID 165025944) is 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(ccc5ccccc54)c3)nc(-c3cc(-c4cccc5oc6ccccc6c45)cc4ccccc34)n2)cc1.c1ccc2c(c1)cc(-c1nc(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)nc(-c3cc4ccccc4c4ccccc34)n1)c1ccccc12.c1ccc2c(c1)ccc1cc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccccc6c45)n3)ccc12.
What is the InChIKey of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine?
The InChIKey is LWQNLJIYYFCCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O.C45H27N3O.C41H23N3O2/c1-3-14-34-32(12-1)28-42(39-18-7-5-16-37(34)39)48-50-47(51-49(52-48)43-29-33-13-2-4-15-35(33)38-17-6-8-19-40(38)43)31-26-24-30(25-27-31)36-21-11-23-45-46(36)41-20-9-10-22-44(41)53-45;1-2-12-29(13-3-1)43-46-44(32-23-24-36-31(25-32)22-21-28-11-4-6-15-34(28)36)48-45(47-43)39-27-33(26-30-14-5-7-16-35(30)39)37-18-10-20-41-42(37)38-17-8-9-19-40(38)49-41;1-2-10-27-24(9-1)19-20-25-23-26(21-22-28(25)27)39-42-40(32-14-8-18-36-37(32)31-12-4-6-17-35(31)45-36)44-41(43-39)33-15-7-13-30-29-11-3-5-16-34(29)46-38(30)33/h1-29H;1-27H;1-23H.
What are the key properties of 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine has a molecular weight of 1891.18 g/mol, XLogP of 35.93, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-phenanthren-2-yl-1,3,5-triazine;2-(3-dibenzofuran-1-ylnaphthalen-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4,6-di(phenanthren-9-yl)-1,3,5-triazine is sourced from PubChem (CID 165025944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).