3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

C43H27N5 — CID 163903392

IUPAC3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)c3)n2)cc1
InChIInChI=1S/C43H27N5/c1-3-13-28(14-4-1)41-46-42(29-15-5-2-6-16-29)48-43(47-41)33-20-12-18-31(26-33)30-17-11-19-32(25-30)38-27-44-39-36-23-9-7-21-34(36)35-22-8-10-24-37(35)40(39)45-38/h1-27H
InChIKeyLWQFAIJYOUJEOL-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.46
Rot. Bonds5

About 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine

3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 163903392) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID163903392
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)c3)n2)cc1
InChIInChI=1S/C43H27N5/c1-3-13-28(14-4-1)41-46-42(29-15-5-2-6-16-29)48-43(47-41)33-20-12-18-31(26-33)30-17-11-19-32(25-30)38-27-44-39-36-23-9-7-21-34(36)35-22-8-10-24-37(35)40(39)45-38/h1-27H
InChIKeyLWQFAIJYOUJEOL-UHFFFAOYSA-N
XLogP10.46
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(3-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;3-[4-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;2-phenyl-3-[4-[4-(2-phenylphenanthro[9,10-b]pyrazin-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159278418
3-[3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063503
3-[3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063437
3-(3-dibenzothiophen-2-ylphenyl)phenanthro[9,10-b]pyrazine
CID 58410043
10-(3-dibenzofuran-2-ylphenyl)-3-phenylphenanthro[9,10-b]pyrazine
CID 88858629
3-[3-(4,6,8-triphenyldibenzofuran-2-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 118227579
3-[3-phenanthren-9-yl-5-[4-phenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazin-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 176622458
3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]phenanthro[9,10-b]pyrazine
CID 176622546
3-[3-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 118488102
3-[3-[3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064112
3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064106
3-[3,5-bis(6-phenyldibenzothiophen-4-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475659

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 163903392) is 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cnc6c7ccccc7c7ccccc7c6n5)c4)c3)n2)cc1.
What is the InChIKey of 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is LWQFAIJYOUJEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-3-13-28(14-4-1)41-46-42(29-15-5-2-6-16-29)48-43(47-41)33-20-12-18-31(26-33)30-17-11-19-32(25-30)38-27-44-39-36-23-9-7-21-34(36)35-22-8-10-24-37(35)40(39)45-38/h1-27H.
What are the key properties of 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine?
3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 613.72 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 163903392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).