4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline

C77H47N5 — CID 129259265

IUPAC4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)cc(-c7ccc(-c8cnc9ccccc9c8)cc7)nc6c5c4)cc3)c3ccc4c(-c5cccc6ccccc56)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C77H47N5/c1-3-16-54(17-4-1)71-45-67(65-40-41-66-73(63-24-13-22-51-15-9-11-23-62(51)63)81-77(56-18-5-2-6-19-56)82-76(66)75(65)80-71)52-31-26-49(27-32-52)58-36-33-53-38-39-64-68(59-37-30-48-14-7-8-20-57(48)42-59)46-72(79-74(64)69(53)44-58)55-34-28-50(29-35-55)61-43-60-21-10-12-25-70(60)78-47-61/h1-47H
InChIKeyCLLZLSUHWZWDEV-UHFFFAOYSA-N
MW1042.26 g/mol
LogP20.07
Rot. Bonds8

About 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline

4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline (PubChem CID 129259265) has the molecular formula C77H47N5 and a molecular weight of 1042.26 g/mol. Its IUPAC name is 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline
PubChem CID129259265
Molecular FormulaC77H47N5
Molecular Weight1042.26 g/mol
Exact Mass1041.38
IUPAC Name4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)cc(-c7ccc(-c8cnc9ccccc9c8)cc7)nc6c5c4)cc3)c3ccc4c(-c5cccc6ccccc56)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C77H47N5/c1-3-16-54(17-4-1)71-45-67(65-40-41-66-73(63-24-13-22-51-15-9-11-23-62(51)63)81-77(56-18-5-2-6-19-56)82-76(66)75(65)80-71)52-31-26-49(27-32-52)58-36-33-53-38-39-64-68(59-37-30-48-14-7-8-20-57(48)42-59)46-72(79-74(64)69(53)44-58)55-34-28-50(29-35-55)61-43-60-21-10-12-25-70(60)78-47-61/h1-47H
InChIKeyCLLZLSUHWZWDEV-UHFFFAOYSA-N
XLogP20.07
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.26
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline?
The IUPAC name of 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline (CID 129259265) is 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline is c1ccc(-c2cc(-c3ccc(-c4ccc5ccc6c(-c7ccc8ccccc8c7)cc(-c7ccc(-c8cnc9ccccc9c8)cc7)nc6c5c4)cc3)c3ccc4c(-c5cccc6ccccc56)nc(-c5ccccc5)nc4c3n2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline?
The InChIKey is CLLZLSUHWZWDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H47N5/c1-3-16-54(17-4-1)71-45-67(65-40-41-66-73(63-24-13-22-51-15-9-11-23-62(51)63)81-77(56-18-5-2-6-19-56)82-76(66)75(65)80-71)52-31-26-49(27-32-52)58-36-33-53-38-39-64-68(59-37-30-48-14-7-8-20-57(48)42-59)46-72(79-74(64)69(53)44-58)55-34-28-50(29-35-55)61-43-60-21-10-12-25-70(60)78-47-61/h1-47H.
What are the key properties of 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline?
4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline has a molecular weight of 1042.26 g/mol, XLogP of 20.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-7-[4-[4-naphthalen-2-yl-2-(4-quinolin-3-ylphenyl)benzo[h]quinolin-9-yl]phenyl]-2,9-diphenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 129259265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).