2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine

C37H30N4 — CID 129296977

IUPAC2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
SMILESC=C/C=C\c1ccc(-c2nc(-c3ccc(-c4ccc(C(C)C)nc4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C37H30N4/c1-4-5-8-26-11-13-29(14-12-26)35-39-36(41-37(40-35)32-20-17-27-9-6-7-10-31(27)23-32)30-18-15-28(16-19-30)33-21-22-34(25(2)3)38-24-33/h4-25H,1H2,2-3H3/b8-5-
InChIKeyMNMXDAHANSKHMA-YVMONPNESA-N
MW530.68 g/mol
LogP9.41
Rot. Bonds7

About 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine

2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine (PubChem CID 129296977) has the molecular formula C37H30N4 and a molecular weight of 530.68 g/mol. Its IUPAC name is 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
PubChem CID129296977
Molecular FormulaC37H30N4
Molecular Weight530.68 g/mol
Exact Mass530.25
IUPAC Name2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine
SMILESC=C/C=C\c1ccc(-c2nc(-c3ccc(-c4ccc(C(C)C)nc4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C37H30N4/c1-4-5-8-26-11-13-29(14-12-26)35-39-36(41-37(40-35)32-20-17-27-9-6-7-10-31(27)23-32)30-18-15-28(16-19-30)33-21-22-34(25(2)3)38-24-33/h4-25H,1H2,2-3H3/b8-5-
InChIKeyMNMXDAHANSKHMA-YVMONPNESA-N
XLogP9.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.68
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine (CID 129296977) is 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine is C=C/C=C\c1ccc(-c2nc(-c3ccc(-c4ccc(C(C)C)nc4)cc3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine?
The InChIKey is MNMXDAHANSKHMA-YVMONPNESA-N. The full InChI is InChI=1S/C37H30N4/c1-4-5-8-26-11-13-29(14-12-26)35-39-36(41-37(40-35)32-20-17-27-9-6-7-10-31(27)23-32)30-18-15-28(16-19-30)33-21-22-34(25(2)3)38-24-33/h4-25H,1H2,2-3H3/b8-5-.
What are the key properties of 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine?
2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine has a molecular weight of 530.68 g/mol, XLogP of 9.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1Z)-buta-1,3-dienyl]phenyl]-4-naphthalen-2-yl-6-[4-(6-propan-2-yl-3-pyridinyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 129296977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).