4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline

C44H31N3 — CID 166714366

IUPAC4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
SMILESC=CC1=C(C=C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc3)c3cccc1c23
InChIInChI=1S/C44H31N3/c1-3-35-36(4-2)40-28-27-37(39-15-10-14-38(35)44(39)40)30-19-23-33(24-20-30)47(32-12-6-5-7-13-32)34-25-21-31(22-26-34)41-17-11-18-43(46-41)42-16-8-9-29-45-42/h3-29H,1-2H2
InChIKeyUMEFRXCPKJMHFM-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.70
Rot. Bonds8

About 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline

4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline (PubChem CID 166714366) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline.

Molecular Properties

Compound Name4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
PubChem CID166714366
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
SMILESC=CC1=C(C=C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc3)c3cccc1c23
InChIInChI=1S/C44H31N3/c1-3-35-36(4-2)40-28-27-37(39-15-10-14-38(35)44(39)40)30-19-23-33(24-20-30)47(32-12-6-5-7-13-32)34-25-21-31(22-26-34)41-17-11-18-43(46-41)42-16-8-9-29-45-42/h3-29H,1-2H2
InChIKeyUMEFRXCPKJMHFM-UHFFFAOYSA-N
XLogP11.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline with MolForge

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Related Compounds

N-phenyl-4-(6-pyridin-2-yl-2-pyridinyl)-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline
CID 122435802
ethane;4-fluoranthen-3-yl-N-(4-fluoranthen-3-ylphenyl)-N-(4-pyridin-2-ylphenyl)aniline
CID 144605037
2-(4-spiro[benzo[a]phenalene-7,9'-fluorene]-3-ylphenyl)pyridine
CID 155460562
2-phenyl-6-pyridin-2-ylpyridine;platinum(2+)
CID 161405876
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179
4-phenyl-2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-6-pyridin-2-ylpyridine;2-pyridin-2-yl-6-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]pyridine
CID 158535696
N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121261358
N-(2,6-dipyridin-2-yl-4-pyridinyl)-N-phenyl-2,6-dipyridin-2-ylpyridin-4-amine
CID 102395137
2-[4-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-5-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 88865382
osmium;bis(4-(4-perylen-3-ylphenyl)-2,6-dipyridin-2-ylpyridine)
CID 170925486
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
4-(4-pyren-1-ylphenyl)-2,6-dipyridin-2-ylpyridine
CID 175635810

Frequently Asked Questions

What is the IUPAC name of 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
The IUPAC name of 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline (CID 166714366) is 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline.
What is the SMILES notation for 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
The canonical SMILES for 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline is C=CC1=C(C=C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cccc(-c6ccccn6)n5)cc4)cc3)c3cccc1c23.
What is the InChIKey of 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
The InChIKey is UMEFRXCPKJMHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-3-35-36(4-2)40-28-27-37(39-15-10-14-38(35)44(39)40)30-19-23-33(24-20-30)47(32-12-6-5-7-13-32)34-25-21-31(22-26-34)41-17-11-18-43(46-41)42-16-8-9-29-45-42/h3-29H,1-2H2.
What are the key properties of 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline?
4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline has a molecular weight of 601.75 g/mol, XLogP of 11.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,2-bis(ethenyl)acenaphthylen-5-yl]-N-phenyl-N-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]aniline is sourced from PubChem (CID 166714366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).