7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline

C104H62N8 — CID 134559497

IUPAC7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccc7ccc8c(-c9ccccc9)c9ccccc9nc8c7n6)ccc5c4)nc4c(-c5cccc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10ccc%11c(-c%12ccccc%12)c%12ccccc%12nc%11c%10n9)c9ccccc89)nc8ccccc78)cc6)c5)cccc34)cc2)cc1
InChIInChI=1S/C104H62N8/c1-4-20-63(21-5-1)64-38-42-69(43-39-64)97-88-34-19-33-78(100(88)112-103(110-97)77-49-47-73-61-76(48-46-74(73)62-77)89-58-52-70-50-54-86-94(66-22-6-2-7-23-66)83-30-12-15-35-90(83)107-101(86)98(70)105-89)75-27-18-26-72(60-75)65-40-44-68(45-41-65)96-85-32-14-17-37-92(85)109-104(111-96)82-57-56-81(79-28-10-11-29-80(79)82)93-59-53-71-51-55-87-95(67-24-8-3-9-25-67)84-31-13-16-36-91(84)108-102(87)99(71)106-93/h1-62H
InChIKeyLOYCQKZBBTZCOP-UHFFFAOYSA-N
MW1423.70 g/mol
LogP26.72
Rot. Bonds11

About 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline

7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline (PubChem CID 134559497) has the molecular formula C104H62N8 and a molecular weight of 1423.70 g/mol. Its IUPAC name is 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
PubChem CID134559497
Molecular FormulaC104H62N8
Molecular Weight1423.70 g/mol
Exact Mass1422.51
IUPAC Name7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccc7ccc8c(-c9ccccc9)c9ccccc9nc8c7n6)ccc5c4)nc4c(-c5cccc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10ccc%11c(-c%12ccccc%12)c%12ccccc%12nc%11c%10n9)c9ccccc89)nc8ccccc78)cc6)c5)cccc34)cc2)cc1
InChIInChI=1S/C104H62N8/c1-4-20-63(21-5-1)64-38-42-69(43-39-64)97-88-34-19-33-78(100(88)112-103(110-97)77-49-47-73-61-76(48-46-74(73)62-77)89-58-52-70-50-54-86-94(66-22-6-2-7-23-66)83-30-12-15-35-90(83)107-101(86)98(70)105-89)75-27-18-26-72(60-75)65-40-44-68(45-41-65)96-85-32-14-17-37-92(85)109-104(111-96)82-57-56-81(79-28-10-11-29-80(79)82)93-59-53-71-51-55-87-95(67-24-8-3-9-25-67)84-31-13-16-36-91(84)108-102(87)99(71)106-93/h1-62H
InChIKeyLOYCQKZBBTZCOP-UHFFFAOYSA-N
XLogP26.72
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001423.70
LogP ≤ 526.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline (CID 134559497) is 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline is c1ccc(-c2ccc(-c3nc(-c4ccc5cc(-c6ccc7ccc8c(-c9ccccc9)c9ccccc9nc8c7n6)ccc5c4)nc4c(-c5cccc(-c6ccc(-c7nc(-c8ccc(-c9ccc%10ccc%11c(-c%12ccccc%12)c%12ccccc%12nc%11c%10n9)c9ccccc89)nc8ccccc78)cc6)c5)cccc34)cc2)cc1.
What is the InChIKey of 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
The InChIKey is LOYCQKZBBTZCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H62N8/c1-4-20-63(21-5-1)64-38-42-69(43-39-64)97-88-34-19-33-78(100(88)112-103(110-97)77-49-47-73-61-76(48-46-74(73)62-77)89-58-52-70-50-54-86-94(66-22-6-2-7-23-66)83-30-12-15-35-90(83)107-101(86)98(70)105-89)75-27-18-26-72(60-75)65-40-44-68(45-41-65)96-85-32-14-17-37-92(85)109-104(111-96)82-57-56-81(79-28-10-11-29-80(79)82)93-59-53-71-51-55-87-95(67-24-8-3-9-25-67)84-31-13-16-36-91(84)108-102(87)99(71)106-93/h1-62H.
What are the key properties of 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline?
7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1423.70 g/mol, XLogP of 26.72, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-[4-[4-[4-[3-[2-[6-(7-phenylbenzo[b][1,10]phenanthrolin-2-yl)naphthalen-2-yl]-4-(4-phenylphenyl)quinazolin-8-yl]phenyl]phenyl]quinazolin-2-yl]naphthalen-1-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 134559497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).