2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline

C48H32N2 — CID 121441238

IUPAC2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
SMILESC1=CC(c2ccc(-c3cc(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccccc6c5)c5ccccc5c4n3)cc2)Nc2ccccc21
InChIInChI=1S/C48H32N2/c1-3-12-36-27-38(23-17-31(36)9-1)42-29-44-43(39-24-18-32-10-2-4-13-37(32)28-39)30-47(50-48(44)41-15-7-6-14-40(41)42)35-21-19-34(20-22-35)46-26-25-33-11-5-8-16-45(33)49-46/h1-30,46,49H
InChIKeyANMOAAZSRYCRPO-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.88
Rot. Bonds4

About 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline

2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline (PubChem CID 121441238) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline.

Molecular Properties

Compound Name2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
PubChem CID121441238
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC Name2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
SMILESC1=CC(c2ccc(-c3cc(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccccc6c5)c5ccccc5c4n3)cc2)Nc2ccccc21
InChIInChI=1S/C48H32N2/c1-3-12-36-27-38(23-17-31(36)9-1)42-29-44-43(39-24-18-32-10-2-4-13-37(32)28-39)30-47(50-48(44)41-15-7-6-14-40(41)42)35-21-19-34(20-22-35)46-26-25-33-11-5-8-16-45(33)49-46/h1-30,46,49H
InChIKeyANMOAAZSRYCRPO-UHFFFAOYSA-N
XLogP12.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline;2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline
CID 158566258
6-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
CID 121441241
4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70958804
4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
CID 70836414
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
4-(5,6-dihydronaphthalen-2-yl)-6-[4-(2-methyl-1,2-dihydroquinolin-8-yl)phenyl]-2-naphthalen-2-ylbenzo[h]quinoline
CID 163583047
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline;6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2,4-dinaphthalen-2-ylbenzo[h]quinoline
CID 159967582
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979
2-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile;4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)benzonitrile
CID 159435282

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline?
The IUPAC name of 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline (CID 121441238) is 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline.
What is the SMILES notation for 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline?
The canonical SMILES for 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline is C1=CC(c2ccc(-c3cc(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccccc6c5)c5ccccc5c4n3)cc2)Nc2ccccc21.
What is the InChIKey of 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline?
The InChIKey is ANMOAAZSRYCRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-3-12-36-27-38(23-17-31(36)9-1)42-29-44-43(39-24-18-32-10-2-4-13-37(32)28-39)30-47(50-48(44)41-15-7-6-14-40(41)42)35-21-19-34(20-22-35)46-26-25-33-11-5-8-16-45(33)49-46/h1-30,46,49H.
What are the key properties of 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline?
2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline has a molecular weight of 636.80 g/mol, XLogP of 12.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2-dihydroquinolin-2-yl)phenyl]-4,6-dinaphthalen-2-ylbenzo[h]quinoline is sourced from PubChem (CID 121441238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).