3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine

C57H37N3 — CID 144553841

IUPAC3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6c(-c7cccnc7)ccc7ccc4c5c76)cc3)cc2)nc1.c1cncc(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C38H24N2.C19H13N/c1-2-23-40-36(5-1)28-12-8-26(9-13-28)25-6-10-27(11-7-25)32-18-14-29-17-21-35-33(31-4-3-22-39-24-31)19-15-30-16-20-34(32)37(29)38(30)35;1-2-7-16-14(5-1)10-11-19-17(8-3-9-18(16)19)15-6-4-12-20-13-15/h1-24H;1-13H
InChIKeyDWDQYTYRYSPLFA-UHFFFAOYSA-N
MW763.94 g/mol
LogP15.10
Rot. Bonds5

About 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine

3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine (PubChem CID 144553841) has the molecular formula C57H37N3 and a molecular weight of 763.94 g/mol. Its IUPAC name is 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
PubChem CID144553841
Molecular FormulaC57H37N3
Molecular Weight763.94 g/mol
Exact Mass763.30
IUPAC Name3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6c(-c7cccnc7)ccc7ccc4c5c76)cc3)cc2)nc1.c1cncc(-c2cccc3c2ccc2ccccc23)c1
InChIInChI=1S/C38H24N2.C19H13N/c1-2-23-40-36(5-1)28-12-8-26(9-13-28)25-6-10-27(11-7-25)32-18-14-29-17-21-35-33(31-4-3-22-39-24-31)19-15-30-16-20-34(32)37(29)38(30)35;1-2-7-16-14(5-1)10-11-19-17(8-3-9-18(16)19)15-6-4-12-20-13-15/h1-24H;1-13H
InChIKeyDWDQYTYRYSPLFA-UHFFFAOYSA-N
XLogP15.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.94
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-3-yl-9-[6-(4-pyridin-2-ylphenyl)pyren-1-yl]-1,10-phenanthroline
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4-phenyl-6-(4-pyren-1-ylphenyl)-2-(5-pyridin-3-ylnaphthalen-1-yl)pyrimidine
CID 130263623
3-pyren-1-ylpyridine
CID 58924967
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CID 130264883
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 157121203
6-[8-(4-pyridin-2-ylphenyl)pyren-1-yl]quinoline
CID 144554033
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810
4-(4-phenylphenyl)-6-(4-pyren-1-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263014
4-[3-(4-pyren-1-ylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 166685234
2-[3-(6-naphthalen-1-ylpyren-1-yl)phenyl]-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 118313976
4-[4-[2-(2-pyren-1-ylphenyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 166684989

Frequently Asked Questions

What is the IUPAC name of 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine?
The IUPAC name of 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine (CID 144553841) is 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine is c1ccc(-c2ccc(-c3ccc(-c4ccc5ccc6c(-c7cccnc7)ccc7ccc4c5c76)cc3)cc2)nc1.c1cncc(-c2cccc3c2ccc2ccccc23)c1.
What is the InChIKey of 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine?
The InChIKey is DWDQYTYRYSPLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N2.C19H13N/c1-2-23-40-36(5-1)28-12-8-26(9-13-28)25-6-10-27(11-7-25)32-18-14-29-17-21-35-33(31-4-3-22-39-24-31)19-15-30-16-20-34(32)37(29)38(30)35;1-2-7-16-14(5-1)10-11-19-17(8-3-9-18(16)19)15-6-4-12-20-13-15/h1-24H;1-13H.
What are the key properties of 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine?
3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine has a molecular weight of 763.94 g/mol, XLogP of 15.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenanthren-1-ylpyridine;2-[4-[4-(6-pyridin-3-ylpyren-1-yl)phenyl]phenyl]pyridine is sourced from PubChem (CID 144553841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).