2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C51H36N4 — CID 138632125

IUPAC2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CNCC(c2cccc(C3(c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c4ccccc4-c4ccccc43)c2)=C1
InChIInChI=1S/C51H36N4/c1-3-14-35(15-4-1)36-27-29-38(30-28-36)49-53-48(37-16-5-2-6-17-37)54-50(55-49)40-19-12-22-43(33-40)51(42-21-11-18-39(32-42)41-20-13-31-52-34-41)46-25-9-7-23-44(46)45-24-8-10-26-47(45)51/h1-33,52H,34H2
InChIKeyLNMSOVBAKNAEEC-UHFFFAOYSA-N
MW704.88 g/mol
LogP11.40
Rot. Bonds7

About 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 138632125) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID138632125
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=CNCC(c2cccc(C3(c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c4ccccc4-c4ccccc43)c2)=C1
InChIInChI=1S/C51H36N4/c1-3-14-35(15-4-1)36-27-29-38(30-28-36)49-53-48(37-16-5-2-6-17-37)54-50(55-49)40-19-12-22-43(33-40)51(42-21-11-18-39(32-42)41-20-13-31-52-34-41)46-25-9-7-23-44(46)45-24-8-10-26-47(45)51/h1-33,52H,34H2
InChIKeyLNMSOVBAKNAEEC-UHFFFAOYSA-N
XLogP11.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 511.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)pyrimidine);bis(2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine)
CID 162253673
2-phenyl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521231
2-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139521317
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-(9,9-diphenylfluoren-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 122416353
2,4-diphenyl-6-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 130375062
2-[9,9-diphenyl-6-(9-phenylfluoren-9-yl)fluoren-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 162487362
2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121450656
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
2-(9,9-diphenylfluoren-3-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162196090

Frequently Asked Questions

What is the IUPAC name of 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 138632125) is 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is C1=CNCC(c2cccc(C3(c4cccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7ccccc7)cc6)n5)c4)c4ccccc4-c4ccccc43)c2)=C1.
What is the InChIKey of 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is LNMSOVBAKNAEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-3-14-35(15-4-1)36-27-29-38(30-28-36)49-53-48(37-16-5-2-6-17-37)54-50(55-49)40-19-12-22-43(33-40)51(42-21-11-18-39(32-42)41-20-13-31-52-34-41)46-25-9-7-23-44(46)45-24-8-10-26-47(45)51/h1-33,52H,34H2.
What are the key properties of 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 704.88 g/mol, XLogP of 11.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[9-[3-(1,2-dihydropyridin-3-yl)phenyl]fluoren-9-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 138632125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).