9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline

C109H65N9 — CID 134176121

IUPAC9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5ccc6ccc(-c7ccc(-c8ccc9c%10ccc(-c%11cc%12ccc(-c%13ccc(-c%14cccc%15ccccc%14%15)cc%13)nc%12c%12nc(-c%13cccc(-c%14ccc%15nc(-c%16ccccn%16)nc(-c%16ccccc%16)c%15c%14)c%13)ccc%11%12)cc%10c%10ccccc%10c9c8)cc7)nc6c5n4)c3)nc3ccccc23)cc1
InChIInChI=1S/C109H65N9/c1-3-19-71(20-4-1)102-90-31-11-12-33-99(90)115-108(117-102)82-27-16-26-80(61-82)97-55-48-74-44-43-73-47-54-95(111-104(73)105(74)113-97)69-39-35-66(36-40-69)76-45-51-87-88-52-46-78(64-93(88)86-30-10-9-29-85(86)92(87)62-76)91-65-81-50-56-96(70-41-37-68(38-42-70)84-32-17-23-67-18-7-8-28-83(67)84)112-106(81)107-89(91)53-58-98(114-107)79-25-15-24-75(60-79)77-49-57-100-94(63-77)103(72-21-5-2-6-22-72)118-109(116-100)101-34-13-14-59-110-101/h1-65H
InChIKeyRFJDYQLRYYBLFV-UHFFFAOYSA-N
MW1500.78 g/mol
LogP27.78
Rot. Bonds12

About 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline

9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline (PubChem CID 134176121) has the molecular formula C109H65N9 and a molecular weight of 1500.78 g/mol. Its IUPAC name is 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline
PubChem CID134176121
Molecular FormulaC109H65N9
Molecular Weight1500.78 g/mol
Exact Mass1499.54
IUPAC Name9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5ccc6ccc(-c7ccc(-c8ccc9c%10ccc(-c%11cc%12ccc(-c%13ccc(-c%14cccc%15ccccc%14%15)cc%13)nc%12c%12nc(-c%13cccc(-c%14ccc%15nc(-c%16ccccn%16)nc(-c%16ccccc%16)c%15c%14)c%13)ccc%11%12)cc%10c%10ccccc%10c9c8)cc7)nc6c5n4)c3)nc3ccccc23)cc1
InChIInChI=1S/C109H65N9/c1-3-19-71(20-4-1)102-90-31-11-12-33-99(90)115-108(117-102)82-27-16-26-80(61-82)97-55-48-74-44-43-73-47-54-95(111-104(73)105(74)113-97)69-39-35-66(36-40-69)76-45-51-87-88-52-46-78(64-93(88)86-30-10-9-29-85(86)92(87)62-76)91-65-81-50-56-96(70-41-37-68(38-42-70)84-32-17-23-67-18-7-8-28-83(67)84)112-106(81)107-89(91)53-58-98(114-107)79-25-15-24-75(60-79)77-49-57-100-94(63-77)103(72-21-5-2-6-22-72)118-109(116-100)101-34-13-14-59-110-101/h1-65H
InChIKeyRFJDYQLRYYBLFV-UHFFFAOYSA-N
XLogP27.78
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms118
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001500.78
LogP ≤ 527.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline?
The IUPAC name of 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline (CID 134176121) is 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline?
The canonical SMILES for 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline is c1ccc(-c2nc(-c3cccc(-c4ccc5ccc6ccc(-c7ccc(-c8ccc9c%10ccc(-c%11cc%12ccc(-c%13ccc(-c%14cccc%15ccccc%14%15)cc%13)nc%12c%12nc(-c%13cccc(-c%14ccc%15nc(-c%16ccccn%16)nc(-c%16ccccc%16)c%15c%14)c%13)ccc%11%12)cc%10c%10ccccc%10c9c8)cc7)nc6c5n4)c3)nc3ccccc23)cc1.
What is the InChIKey of 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline?
The InChIKey is RFJDYQLRYYBLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H65N9/c1-3-19-71(20-4-1)102-90-31-11-12-33-99(90)115-108(117-102)82-27-16-26-80(61-82)97-55-48-74-44-43-73-47-54-95(111-104(73)105(74)113-97)69-39-35-66(36-40-69)76-45-51-87-88-52-46-78(64-93(88)86-30-10-9-29-85(86)92(87)62-76)91-65-81-50-56-96(70-41-37-68(38-42-70)84-32-17-23-67-18-7-8-28-83(67)84)112-106(81)107-89(91)53-58-98(114-107)79-25-15-24-75(60-79)77-49-57-100-94(63-77)103(72-21-5-2-6-22-72)118-109(116-100)101-34-13-14-59-110-101/h1-65H.
What are the key properties of 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline?
9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline has a molecular weight of 1500.78 g/mol, XLogP of 27.78, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-naphthalen-1-ylphenyl)-2-[3-(4-phenyl-2-pyridin-2-ylquinazolin-6-yl)phenyl]-5-[7-[4-[9-[3-(4-phenylquinazolin-2-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]triphenylen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 134176121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).