4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

C78H44N6 — CID 146654066

IUPAC4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(-c4ccc5c(-c6ccnc7c6ccc6ccc(-c8c(-c9ccc%10ccc(-c%11ccc(C#N)cc%11)cc%10c9)ccc9ccccc89)nc67)cccc5c4-c4ccc5ccc6cccnc6c5n4)ccc3c2)cc1
InChIInChI=1S/C78H44N6/c79-45-47-10-14-49(15-11-47)56-23-24-59-42-60(27-25-58(59)41-56)65-34-35-67-66(8-3-9-69(67)74(65)72-37-30-54-21-20-53-6-4-39-81-75(53)76(54)83-72)68-38-40-82-78-70(68)33-29-55-31-36-71(84-77(55)78)73-63-7-2-1-5-52(63)28-32-64(73)61-26-19-51-18-22-57(43-62(51)44-61)50-16-12-48(46-80)13-17-50/h1-44H
InChIKeyHEHPEEXPJOWEON-UHFFFAOYSA-N
MW1065.25 g/mol
LogP19.90
Rot. Bonds7

About 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile

4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (PubChem CID 146654066) has the molecular formula C78H44N6 and a molecular weight of 1065.25 g/mol. Its IUPAC name is 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
PubChem CID146654066
Molecular FormulaC78H44N6
Molecular Weight1065.25 g/mol
Exact Mass1064.36
IUPAC Name4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(-c4ccc5c(-c6ccnc7c6ccc6ccc(-c8c(-c9ccc%10ccc(-c%11ccc(C#N)cc%11)cc%10c9)ccc9ccccc89)nc67)cccc5c4-c4ccc5ccc6cccnc6c5n4)ccc3c2)cc1
InChIInChI=1S/C78H44N6/c79-45-47-10-14-49(15-11-47)56-23-24-59-42-60(27-25-58(59)41-56)65-34-35-67-66(8-3-9-69(67)74(65)72-37-30-54-21-20-53-6-4-39-81-75(53)76(54)83-72)68-38-40-82-78-70(68)33-29-55-31-36-71(84-77(55)78)73-63-7-2-1-5-52(63)28-32-64(73)61-26-19-51-18-22-57(43-62(51)44-61)50-16-12-48(46-80)13-17-50/h1-44H
InChIKeyHEHPEEXPJOWEON-UHFFFAOYSA-N
XLogP19.90
TPSA99.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001065.25
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile with MolForge

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Related Compounds

4-[7-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-1-yl]benzonitrile
CID 146654069
4-[3-[1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654272
4-[6-[4-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654265
4-[3-benzo[h]quinolin-10-yl-10-(4-cyanophenyl)anthracen-9-yl]benzonitrile
CID 58323720
2-(10-phenanthren-2-ylanthracen-9-yl)-1,10-phenanthroline
CID 89023621
4-[3-[3-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654295
5-[4-[4-(1,10-phenanthrolin-2-yl)phenyl]naphthalen-1-yl]benzo[b][1,10]phenanthroline-10-carbonitrile
CID 137472831
2-[4-[10-(10-naphthalen-2-ylanthracen-9-yl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 145221304
2-[4-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[6-[6-[2-(1,10-phenanthrolin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 165104577
2-anthracen-2-yl-1,10-phenanthroline;5-anthracen-2-yl-1,10-phenanthroline;2-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-(9,10-diphenylanthracen-2-yl)-1,10-phenanthroline;5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline;2-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline;5-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-1,10-phenanthroline
CID 159482909
4-[4-[4,6-bis[4-(1,10-phenanthrolin-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 137489964
4-[3-(7,12-dinaphthalen-2-ylbenzo[k]fluoranthen-3-yl)phenyl]benzonitrile
CID 70847201

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile (CID 146654066) is 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3cc(-c4ccc5c(-c6ccnc7c6ccc6ccc(-c8c(-c9ccc%10ccc(-c%11ccc(C#N)cc%11)cc%10c9)ccc9ccccc89)nc67)cccc5c4-c4ccc5ccc6cccnc6c5n4)ccc3c2)cc1.
What is the InChIKey of 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
The InChIKey is HEHPEEXPJOWEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H44N6/c79-45-47-10-14-49(15-11-47)56-23-24-59-42-60(27-25-58(59)41-56)65-34-35-67-66(8-3-9-69(67)74(65)72-37-30-54-21-20-53-6-4-39-81-75(53)76(54)83-72)68-38-40-82-78-70(68)33-29-55-31-36-71(84-77(55)78)73-63-7-2-1-5-52(63)28-32-64(73)61-26-19-51-18-22-57(43-62(51)44-61)50-16-12-48(46-80)13-17-50/h1-44H.
What are the key properties of 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile?
4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile has a molecular weight of 1065.25 g/mol, XLogP of 19.90, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-[9-[2-[7-(4-cyanophenyl)naphthalen-2-yl]naphthalen-1-yl]-1,10-phenanthrolin-4-yl]-1-(1,10-phenanthrolin-2-yl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 146654066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).