2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C186H114N12O — CID 158853563

IUPAC2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)c(-c2ccc3ccc4c5ccccc5ccc4c3c2)c1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3ccc4c5ccccc5ccc4c3c2)c1.c1ccc2cc(-c3nc(-c4ccc5ccc6ccc7ccccc7c6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C51H31N3.C47H29N3.C45H29N3.C43H25N3O/c1-2-13-35-29-38(24-21-32(35)11-1)49-52-50(54-51(53-49)48-31-36-14-4-6-16-40(36)42-18-8-9-19-43(42)48)46-20-10-7-17-41(46)37-23-22-34-26-27-44-39-15-5-3-12-33(39)25-28-45(44)47(34)30-37;1-3-12-34-27-37(21-17-30(34)9-1)45-48-46(38-22-18-31-10-2-4-13-35(31)28-38)50-47(49-45)43-16-8-7-15-40(43)36-20-19-33-24-25-41-39-14-6-5-11-32(39)23-26-42(41)44(33)29-36;1-3-10-30(11-4-1)32-18-21-35(22-19-32)43-46-44(37-16-9-15-36(28-37)31-12-5-2-6-13-31)48-45(47-43)38-23-20-34-25-26-40-39-17-8-7-14-33(39)24-27-41(40)42(34)29-38;1-2-10-30-24-31(22-16-26(30)8-1)41-44-42(46-43(45-41)35-13-7-15-38-40(35)34-12-5-6-14-37(34)47-38)32-23-19-28-18-21-29-20-17-27-9-3-4-11-33(27)39(29)36(28)25-32/h1-31H;1-29H;1-29H;1-25H
InChIKeyIZTKSOLBPAIMCG-UHFFFAOYSA-N
MW2533.04 g/mol
LogP48.82
Rot. Bonds16

About 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 158853563) has the molecular formula C186H114N12O and a molecular weight of 2533.04 g/mol. Its IUPAC name is 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID158853563
Molecular FormulaC186H114N12O
Molecular Weight2533.04 g/mol
Exact Mass2530.92
IUPAC Name2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)c(-c2ccc3ccc4c5ccccc5ccc4c3c2)c1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3ccc4c5ccccc5ccc4c3c2)c1.c1ccc2cc(-c3nc(-c4ccc5ccc6ccc7ccccc7c6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1
InChIInChI=1S/C51H31N3.C47H29N3.C45H29N3.C43H25N3O/c1-2-13-35-29-38(24-21-32(35)11-1)49-52-50(54-51(53-49)48-31-36-14-4-6-16-40(36)42-18-8-9-19-43(42)48)46-20-10-7-17-41(46)37-23-22-34-26-27-44-39-15-5-3-12-33(39)25-28-45(44)47(34)30-37;1-3-12-34-27-37(21-17-30(34)9-1)45-48-46(38-22-18-31-10-2-4-13-35(31)28-38)50-47(49-45)43-16-8-7-15-40(43)36-20-19-33-24-25-41-39-14-6-5-11-32(39)23-26-42(41)44(33)29-36;1-3-10-30(11-4-1)32-18-21-35(22-19-32)43-46-44(37-16-9-15-36(28-37)31-12-5-2-6-13-31)48-45(47-43)38-23-20-34-25-26-40-39-17-8-7-14-33(39)24-27-41(40)42(34)29-38;1-2-10-30-24-31(22-16-26(30)8-1)41-44-42(46-43(45-41)35-13-7-15-38-40(35)34-12-5-6-14-37(34)47-38)32-23-19-28-18-21-29-20-17-27-9-3-4-11-33(27)39(29)36(28)25-32/h1-31H;1-29H;1-29H;1-25H
InChIKeyIZTKSOLBPAIMCG-UHFFFAOYSA-N
XLogP48.82
TPSA167.82 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms199
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002533.04
LogP ≤ 548.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-phenanthren-9-yl-1,3,5-triazine
CID 169053906
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-naphthalen-2-yl-4-(7-phenanthren-3-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741117
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742551
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(12-phenylbenzo[c]phenanthren-2-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-(12-phenylbenzo[g]phenanthren-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(12-phenylbenzo[c]phenanthren-2-yl)-1,3,5-triazine
CID 162244193
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-dinaphthalen-1-yl-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-naphtho[2,1-b][1]benzofuran-1-yl-1,3,5-triazine;2-naphtho[2,1-b][1]benzofuran-3-yl-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine;2-naphtho[2,1-b][1]benzofuran-4-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 164953184
2-(8-phenanthren-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142353054
2-phenanthren-2-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenanthren-9-yl-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(7-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine;2-phenyl-4-(8-phenylnaphthalen-2-yl)-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 165003214
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 158853563) is 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5ccc6c7ccccc7ccc6c5c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc4ccccc4c4ccccc34)n2)c(-c2ccc3ccc4c5ccccc5ccc4c3c2)c1.c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3ccc4c5ccccc5ccc4c3c2)c1.c1ccc2cc(-c3nc(-c4ccc5ccc6ccc7ccccc7c6c5c4)nc(-c4cccc5oc6ccccc6c45)n3)ccc2c1.
What is the InChIKey of 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IZTKSOLBPAIMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3.C47H29N3.C45H29N3.C43H25N3O/c1-2-13-35-29-38(24-21-32(35)11-1)49-52-50(54-51(53-49)48-31-36-14-4-6-16-40(36)42-18-8-9-19-43(42)48)46-20-10-7-17-41(46)37-23-22-34-26-27-44-39-15-5-3-12-33(39)25-28-45(44)47(34)30-37;1-3-12-34-27-37(21-17-30(34)9-1)45-48-46(38-22-18-31-10-2-4-13-35(31)28-38)50-47(49-45)43-16-8-7-15-40(43)36-20-19-33-24-25-41-39-14-6-5-11-32(39)23-26-42(41)44(33)29-36;1-3-10-30(11-4-1)32-18-21-35(22-19-32)43-46-44(37-16-9-15-36(28-37)31-12-5-2-6-13-31)48-45(47-43)38-23-20-34-25-26-40-39-17-8-7-14-33(39)24-27-41(40)42(34)29-38;1-2-10-30-24-31(22-16-26(30)8-1)41-44-42(46-43(45-41)35-13-7-15-38-40(35)34-12-5-6-14-37(34)47-38)32-23-19-28-18-21-29-20-17-27-9-3-4-11-33(27)39(29)36(28)25-32/h1-31H;1-29H;1-29H;1-25H.
What are the key properties of 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 2533.04 g/mol, XLogP of 48.82, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[c]phenanthren-2-yl-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(2-chrysen-3-ylphenyl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine;2-chrysen-3-yl-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158853563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).