2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline

C68H42N2 — CID 145221322

IUPAC2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c(-c7ccc(-c8c9ccccc9c(-c9ccc(-c%10ccccc%10)c%10ccccc9%10)c9ccccc89)c8ccccc78)cccc56)nc4c3n2)cc1
InChIInChI=1S/C68H42N2/c1-3-17-43(18-4-1)47-37-39-61(53-23-9-7-21-48(47)53)65-57-25-11-13-27-59(57)66(60-28-14-12-26-58(60)65)62-40-38-55(49-22-8-10-24-54(49)62)51-29-15-31-52-50(51)30-16-32-56(52)64-42-36-46-34-33-45-35-41-63(44-19-5-2-6-20-44)69-67(45)68(46)70-64/h1-42H
InChIKeyNPHSQPOSDGQUMQ-UHFFFAOYSA-N
MW887.10 g/mol
LogP18.55
Rot. Bonds6

About 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline

2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline (PubChem CID 145221322) has the molecular formula C68H42N2 and a molecular weight of 887.10 g/mol. Its IUPAC name is 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
PubChem CID145221322
Molecular FormulaC68H42N2
Molecular Weight887.10 g/mol
Exact Mass886.33
IUPAC Name2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc6c(-c7ccc(-c8c9ccccc9c(-c9ccc(-c%10ccccc%10)c%10ccccc9%10)c9ccccc89)c8ccccc78)cccc56)nc4c3n2)cc1
InChIInChI=1S/C68H42N2/c1-3-17-43(18-4-1)47-37-39-61(53-23-9-7-21-48(47)53)65-57-25-11-13-27-59(57)66(60-28-14-12-26-58(60)65)62-40-38-55(49-22-8-10-24-54(49)62)51-29-15-31-52-50(51)30-16-32-56(52)64-42-36-46-34-33-45-35-41-63(44-19-5-2-6-20-44)69-67(45)68(46)70-64/h1-42H
InChIKeyNPHSQPOSDGQUMQ-UHFFFAOYSA-N
XLogP18.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.10
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-phenyl-9-(4-pyren-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 134596590
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-fluoranthen-3-yl-9-[4-(6-phenylpyridazin-3-yl)phenyl]-1,10-phenanthroline
CID 134167459
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827
4-[9-[4-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]-1,10-phenanthrolin-2-yl]phenol
CID 136629852
2-phenyl-9-[4-(3-pyrimidin-2-ylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725284
2-phenyl-9-(4-pyridin-2-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 171732044
2-phenyl-9-[4-[2-[2-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010512
2-(9-naphthalen-1-ylfluoranthen-3-yl)-9-phenyl-1,10-phenanthroline
CID 134596697
2-phenyl-9-(4-pyren-1-ylphenyl)-1,10-phenanthroline
CID 121460965

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline?
The IUPAC name of 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline (CID 145221322) is 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline?
The canonical SMILES for 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cccc6c(-c7ccc(-c8c9ccccc9c(-c9ccc(-c%10ccccc%10)c%10ccccc9%10)c9ccccc89)c8ccccc78)cccc56)nc4c3n2)cc1.
What is the InChIKey of 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline?
The InChIKey is NPHSQPOSDGQUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N2/c1-3-17-43(18-4-1)47-37-39-61(53-23-9-7-21-48(47)53)65-57-25-11-13-27-59(57)66(60-28-14-12-26-58(60)65)62-40-38-55(49-22-8-10-24-54(49)62)51-29-15-31-52-50(51)30-16-32-56(52)64-42-36-46-34-33-45-35-41-63(44-19-5-2-6-20-44)69-67(45)68(46)70-64/h1-42H.
What are the key properties of 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline?
2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline has a molecular weight of 887.10 g/mol, XLogP of 18.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[5-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]naphthalen-1-yl]-1,10-phenanthroline is sourced from PubChem (CID 145221322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).