2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C52H37N5 — CID 146367432

IUPAC2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=C(c2ccccc2)NC(C2=Cc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3-c3ccccc3C2)N=C1c1ccccc1
InChIInChI=1S/C52H37N5/c1-5-16-36(17-6-1)46-34-47(37-18-7-2-8-19-37)54-52(53-46)43-32-41-24-13-14-26-45(41)48-42(33-43)25-15-27-44(48)35-28-30-40(31-29-35)51-56-49(38-20-9-3-10-21-38)55-50(57-51)39-22-11-4-12-23-39/h1-31,33-34,52-53H,32H2
InChIKeyAMUMKDLRPGPSIZ-UHFFFAOYSA-N
MW731.90 g/mol
LogP11.61
Rot. Bonds7

About 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146367432) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146367432
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESC1=C(c2ccccc2)NC(C2=Cc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3-c3ccccc3C2)N=C1c1ccccc1
InChIInChI=1S/C52H37N5/c1-5-16-36(17-6-1)46-34-47(37-18-7-2-8-19-37)54-52(53-46)43-32-41-24-13-14-26-45(41)48-42(33-43)25-15-27-44(48)35-28-30-40(31-29-35)51-56-49(38-20-9-3-10-21-38)55-50(57-51)39-22-11-4-12-23-39/h1-31,33-34,52-53H,32H2
InChIKeyAMUMKDLRPGPSIZ-UHFFFAOYSA-N
XLogP11.61
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 511.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

4-[4-[(6Z,8Z,10E)-4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]-6,12,12-trimethyl-5H-benzo[10]annulen-7-yl]phenyl]-2,6-diphenylpyrimidine
CID 130439965
4-[4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]dibenzothiophen-1-yl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 142453202
4-[4-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 148755581
4,6-diphenyl-2-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]-1,2-dihydropyrimidine
CID 174243578
2,6-diphenyl-4-(4-phenylnaphthalen-2-yl)-1,2-dihydropyrimidine
CID 174321754
2-[4-[1-[2-[4-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170277804
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2-[3-(9H-fluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158076538
4,6-diphenyl-2-[4-[2-(4-phenylphenyl)propan-2-yl]phenyl]-1,2-dihydropyrimidine
CID 130392498
3-[7-[4-(2,4-diphenyl-1,2-dihydropyrimidin-6-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
CID 142487970
2-(5-bromo-9H-fluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 147440229

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146367432) is 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is C1=C(c2ccccc2)NC(C2=Cc3cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c3-c3ccccc3C2)N=C1c1ccccc1.
What is the InChIKey of 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AMUMKDLRPGPSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5/c1-5-16-36(17-6-1)46-34-47(37-18-7-2-8-19-37)54-52(53-46)43-32-41-24-13-14-26-45(41)48-42(33-43)25-15-27-44(48)35-28-30-40(31-29-35)51-56-49(38-20-9-3-10-21-38)55-50(57-51)39-22-11-4-12-23-39/h1-31,33-34,52-53H,32H2.
What are the key properties of 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 731.90 g/mol, XLogP of 11.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-3-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,8,11,13-heptaenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146367432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).