3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline

C36H22N6 — CID 122426517

IUPAC3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc2ncc(-c3ccc(-c4nc(-c5ccc6ncccc6c5)nc(-c5ccc6ncccc6c5)n4)cc3)cc2c1
InChIInChI=1S/C36H22N6/c1-2-8-31-25(5-1)21-30(22-39-31)23-9-11-24(12-10-23)34-40-35(28-13-15-32-26(19-28)6-3-17-37-32)42-36(41-34)29-14-16-33-27(20-29)7-4-18-38-33/h1-22H
InChIKeyCDMIJBMPOSRSBT-UHFFFAOYSA-N
MW538.61 g/mol
LogP8.18
Rot. Bonds4

About 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline

3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 122426517) has the molecular formula C36H22N6 and a molecular weight of 538.61 g/mol. Its IUPAC name is 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID122426517
Molecular FormulaC36H22N6
Molecular Weight538.61 g/mol
Exact Mass538.19
IUPAC Name3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc2ncc(-c3ccc(-c4nc(-c5ccc6ncccc6c5)nc(-c5ccc6ncccc6c5)n4)cc3)cc2c1
InChIInChI=1S/C36H22N6/c1-2-8-31-25(5-1)21-30(22-39-31)23-9-11-24(12-10-23)34-40-35(28-13-15-32-26(19-28)6-3-17-37-32)42-36(41-34)29-14-16-33-27(20-29)7-4-18-38-33/h1-22H
InChIKeyCDMIJBMPOSRSBT-UHFFFAOYSA-N
XLogP8.18
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 58322543
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322553
6-[4-[4,6-bis(4-anthracen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 154599225
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
3-[4-(4-phenylphenyl)-6-quinolin-3-yl-1,3,5-triazin-2-yl]quinoline
CID 122426515
3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462308
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402315
3-pyridin-4-ylquinoline
CID 10081720
3-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 58322558
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
3-[4-[4-phenyl-6-[11-[4-phenyl-6-(4-quinolin-3-ylphenyl)-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 165151053
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 122426517) is 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc2ncc(-c3ccc(-c4nc(-c5ccc6ncccc6c5)nc(-c5ccc6ncccc6c5)n4)cc3)cc2c1.
What is the InChIKey of 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is CDMIJBMPOSRSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N6/c1-2-8-31-25(5-1)21-30(22-39-31)23-9-11-24(12-10-23)34-40-35(28-13-15-32-26(19-28)6-3-17-37-32)42-36(41-34)29-14-16-33-27(20-29)7-4-18-38-33/h1-22H.
What are the key properties of 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 538.61 g/mol, XLogP of 8.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 122426517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).