7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile

C85H51N7 — CID 146654049

IUPAC7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3cc4ccccc4cc3-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc3cc(-c4ccc5cc(-c6cccc7ccc(-c8ccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)cc67)cc(C#N)c5c4)ccc23)cc1
InChIInChI=1S/C85H51N7/c86-52-54-24-26-59(27-25-54)84-72-38-36-63(42-66(72)37-39-73(84)77-48-62-19-8-7-18-61(62)46-76(77)69-49-82(78-22-9-11-40-88-78)90-83(50-69)79-23-10-12-41-89-79)65-34-35-67-43-68(44-70(53-87)74(67)45-65)71-21-13-20-56-30-33-64(47-75(56)71)55-28-31-58(32-29-55)81-51-80(57-14-3-1-4-15-57)91-85(92-81)60-16-5-2-6-17-60/h1-51H
InChIKeyDVEUMFQMBITJRZ-UHFFFAOYSA-N
MW1170.39 g/mol
LogP21.35
Rot. Bonds11

About 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile

7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile (PubChem CID 146654049) has the molecular formula C85H51N7 and a molecular weight of 1170.39 g/mol. Its IUPAC name is 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile.

Molecular Properties

Compound Name7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
PubChem CID146654049
Molecular FormulaC85H51N7
Molecular Weight1170.39 g/mol
Exact Mass1169.42
IUPAC Name7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile
SMILESN#Cc1ccc(-c2c(-c3cc4ccccc4cc3-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc3cc(-c4ccc5cc(-c6cccc7ccc(-c8ccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)cc67)cc(C#N)c5c4)ccc23)cc1
InChIInChI=1S/C85H51N7/c86-52-54-24-26-59(27-25-54)84-72-38-36-63(42-66(72)37-39-73(84)77-48-62-19-8-7-18-61(62)46-76(77)69-49-82(78-22-9-11-40-88-78)90-83(50-69)79-23-10-12-41-89-79)65-34-35-67-43-68(44-70(53-87)74(67)45-65)71-21-13-20-56-30-33-64(47-75(56)71)55-28-31-58(32-29-55)81-51-80(57-14-3-1-4-15-57)91-85(92-81)60-16-5-2-6-17-60/h1-51H
InChIKeyDVEUMFQMBITJRZ-UHFFFAOYSA-N
XLogP21.35
TPSA112.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001170.39
LogP ≤ 521.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile with MolForge

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Related Compounds

4-[6-[5-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654056
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654074
2,4-diphenyl-6-(1-phenylnaphthalen-2-yl)pyrimidine;2,4-diphenyl-6-(1-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(3-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(4-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(8-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164972674
4-[6-[3-[2-[4-[6-[4-[3-[5-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-[5-[6-[4-[3-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-2-yl]-6-pyridin-2-yl-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-3-pyridinyl]-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146653761
4-[3-[6-(4-benzo[a]anthracen-7-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]benzonitrile
CID 167249838
3-[2-[4-[4-[4-[8-(4-cyanophenyl)-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]benzonitrile
CID 138750058
2-[4-[4-[6-(4-naphthalen-1-yl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]-4,6-diphenylpyrimidine
CID 164816946
3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-phenanthren-9-ylbenzonitrile;3-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]naphthalen-1-yl]-5-triphenylen-2-ylbenzonitrile
CID 162110199
2-(4-dibenzothiophen-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzothiophen-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;2-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-(4-phenanthren-2-ylphenyl)-6-phenylpyridine
CID 159041263
4-[3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]benzonitrile
CID 142487935
4-[4-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2,6-diphenylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-2-ylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-3-ylpyrimidine;2-phenyl-4-[4-[5-[4-(2-phenyl-6-pyridin-4-ylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-6-pyridin-4-ylpyrimidine
CID 158234188
4-[4-[4-[4-(2-naphthalen-2-yl-3-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169297341

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
The IUPAC name of 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile (CID 146654049) is 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile.
What is the SMILES notation for 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
The canonical SMILES for 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile is N#Cc1ccc(-c2c(-c3cc4ccccc4cc3-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)ccc3cc(-c4ccc5cc(-c6cccc7ccc(-c8ccc(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc8)cc67)cc(C#N)c5c4)ccc23)cc1.
What is the InChIKey of 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
The InChIKey is DVEUMFQMBITJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H51N7/c86-52-54-24-26-59(27-25-54)84-72-38-36-63(42-66(72)37-39-73(84)77-48-62-19-8-7-18-61(62)46-76(77)69-49-82(78-22-9-11-40-88-78)90-83(50-69)79-23-10-12-41-89-79)65-34-35-67-43-68(44-70(53-87)74(67)45-65)71-21-13-20-56-30-33-64(47-75(56)71)55-28-31-58(32-29-55)81-51-80(57-14-3-1-4-15-57)91-85(92-81)60-16-5-2-6-17-60/h1-51H.
What are the key properties of 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile?
7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile has a molecular weight of 1170.39 g/mol, XLogP of 21.35, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-cyanophenyl)-6-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]-3-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]naphthalene-1-carbonitrile is sourced from PubChem (CID 146654049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).