2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine

C46H34N4 — CID 153394371

IUPAC2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
SMILESC1=Cc2c(c3c(c(-c4cc(-c5ccncc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c2-c2ccccc2)C=CCC3)CC1
InChIInChI=1S/C46H34N4/c1-4-14-32(15-5-1)42-40-22-12-10-20-38(40)39-21-11-13-23-41(39)43(42)36-28-35(31-24-26-47-27-25-31)29-37(30-36)46-49-44(33-16-6-2-7-17-33)48-45(50-46)34-18-8-3-9-19-34/h1-9,12-19,22-30H,10-11,20-21H2
InChIKeyBSHNCRDAKHMXOH-UHFFFAOYSA-N
MW642.81 g/mol
LogP11.19
Rot. Bonds6

About 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine (PubChem CID 153394371) has the molecular formula C46H34N4 and a molecular weight of 642.81 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
PubChem CID153394371
Molecular FormulaC46H34N4
Molecular Weight642.81 g/mol
Exact Mass642.28
IUPAC Name2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
SMILESC1=Cc2c(c3c(c(-c4cc(-c5ccncc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c2-c2ccccc2)C=CCC3)CC1
InChIInChI=1S/C46H34N4/c1-4-14-32(15-5-1)42-40-22-12-10-20-38(40)39-21-11-13-23-41(39)43(42)36-28-35(31-24-26-47-27-25-31)29-37(30-36)46-49-44(33-16-6-2-7-17-33)48-45(50-46)34-18-8-3-9-19-34/h1-9,12-19,22-30H,10-11,20-21H2
InChIKeyBSHNCRDAKHMXOH-UHFFFAOYSA-N
XLogP11.19
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 168835981
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2,4,6-tris(3,5-dipyridin-4-ylphenyl)-1,3,5-triazine
CID 102332851
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840
2,4-diphenyl-6-[4-[3-[2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 163606051
2-[3-(5,6-dihydronaphthalen-1-yl)-5-[3-(2-methyl-4-pyridinyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 144734254
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
2-(3,5-diphenylphenyl)-4-phenyl-6-[3-[3-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4,6-tris[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162144884

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine (CID 153394371) is 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine is C1=Cc2c(c3c(c(-c4cc(-c5ccncc5)cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c2-c2ccccc2)C=CCC3)CC1.
What is the InChIKey of 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
The InChIKey is BSHNCRDAKHMXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4/c1-4-14-32(15-5-1)42-40-22-12-10-20-38(40)39-21-11-13-23-41(39)43(42)36-28-35(31-24-26-47-27-25-31)29-37(30-36)46-49-44(33-16-6-2-7-17-33)48-45(50-46)34-18-8-3-9-19-34/h1-9,12-19,22-30H,10-11,20-21H2.
What are the key properties of 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine has a molecular weight of 642.81 g/mol, XLogP of 11.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-(10-phenyl-3,4,5,6-tetrahydrophenanthren-9-yl)-5-pyridin-4-ylphenyl]-1,3,5-triazine is sourced from PubChem (CID 153394371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).