4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole

C92H56N4O — CID 158281562

IUPAC4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
SMILESN#Cc1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc4c3cc(-c3cccc5ccccc35)c3ccccc34)cc2)cc1.c1ccc2c(-c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4n3)cccc2c1
InChIInChI=1S/C46H28N2O.C46H28N2/c1-3-15-33-29(11-1)13-9-19-35(33)40-27-41-39(31-23-25-32(26-24-31)46-48-42-21-7-8-22-44(42)49-46)28-43(47-45(41)38-18-6-5-17-36(38)40)37-20-10-14-30-12-2-4-16-34(30)37;47-29-30-19-21-31(22-20-30)32-23-25-35(26-24-32)42-28-45(40-18-8-12-34-10-2-4-14-37(34)40)48-46-41-16-6-5-15-39(41)43(27-44(42)46)38-17-7-11-33-9-1-3-13-36(33)38/h1-28H;1-28H
InChIKeyGKGVDYXIPLNAPM-UHFFFAOYSA-N
MW1233.49 g/mol
LogP24.74
Rot. Bonds8

About 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole

4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole (PubChem CID 158281562) has the molecular formula C92H56N4O and a molecular weight of 1233.49 g/mol. Its IUPAC name is 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
PubChem CID158281562
Molecular FormulaC92H56N4O
Molecular Weight1233.49 g/mol
Exact Mass1232.45
IUPAC Name4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
SMILESN#Cc1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc4c3cc(-c3cccc5ccccc35)c3ccccc34)cc2)cc1.c1ccc2c(-c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4n3)cccc2c1
InChIInChI=1S/C46H28N2O.C46H28N2/c1-3-15-33-29(11-1)13-9-19-35(33)40-27-41-39(31-23-25-32(26-24-31)46-48-42-21-7-8-22-44(42)49-46)28-43(47-45(41)38-18-6-5-17-36(38)40)37-20-10-14-30-12-2-4-16-34(30)37;47-29-30-19-21-31(22-20-30)32-23-25-35(26-24-32)42-28-45(40-18-8-12-34-10-2-4-14-37(34)40)48-46-41-16-6-5-15-39(41)43(27-44(42)46)38-17-7-11-33-9-1-3-13-36(33)38/h1-28H;1-28H
InChIKeyGKGVDYXIPLNAPM-UHFFFAOYSA-N
XLogP24.74
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.49
LogP ≤ 524.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-(4,6-dinaphthalen-1-ylbenzo[h]quinolin-2-yl)phenyl]benzonitrile
CID 70958881
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
CID 175190264
2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-1-yl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 130440894
2-(2,4-dinaphthalen-1-ylbenzo[h]quinolin-6-yl)benzonitrile
CID 70959605
2,6-dinaphthalen-1-yl-4-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70958772
4-(4-acridin-9-ylphenyl)-2,6-bis(4-phenylphenyl)benzo[h]quinoline;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161103794
2-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile;4-[2,6-bis(4-phenylphenyl)benzo[h]quinolin-4-yl]benzonitrile
CID 161310486
2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]-1,3-benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 160633807
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole
CID 122578278
2,6-dinaphthalen-1-yl-4-(4-pyridin-2-ylphenyl)benzo[h]quinoline
CID 70958773

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole (CID 158281562) is 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole is N#Cc1ccc(-c2ccc(-c3cc(-c4cccc5ccccc45)nc4c3cc(-c3cccc5ccccc35)c3ccccc34)cc2)cc1.c1ccc2c(-c3cc(-c4ccc(-c5nc6ccccc6o5)cc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4n3)cccc2c1.
What is the InChIKey of 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole?
The InChIKey is GKGVDYXIPLNAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O.C46H28N2/c1-3-15-33-29(11-1)13-9-19-35(33)40-27-41-39(31-23-25-32(26-24-31)46-48-42-21-7-8-22-44(42)49-46)28-43(47-45(41)38-18-6-5-17-36(38)40)37-20-10-14-30-12-2-4-16-34(30)37;47-29-30-19-21-31(22-20-30)32-23-25-35(26-24-32)42-28-45(40-18-8-12-34-10-2-4-14-37(34)40)48-46-41-16-6-5-15-39(41)43(27-44(42)46)38-17-7-11-33-9-1-3-13-36(33)38/h1-28H;1-28H.
What are the key properties of 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole?
4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole has a molecular weight of 1233.49 g/mol, XLogP of 24.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]benzonitrile;2-[4-(2,6-dinaphthalen-1-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 158281562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).