4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline

C48H30N2 — CID 70836414

IUPAC4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
SMILESc1ccc2cc(-c3cc4c(-c5ccc6ccccc6c5)cc(-c5ccc(-c6ccnc7ccccc67)cc5)nc4c4ccccc34)ccc2c1
InChIInChI=1S/C48H30N2/c1-3-11-35-27-37(23-17-31(35)9-1)43-29-45-44(38-24-18-32-10-2-4-12-36(32)28-38)30-47(50-48(45)42-15-6-5-13-40(42)43)34-21-19-33(20-22-34)39-25-26-49-46-16-8-7-14-41(39)46/h1-30H
InChIKeyPTROXVUHKQSDIS-UHFFFAOYSA-N
MW634.78 g/mol
LogP12.91
Rot. Bonds4

About 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline

4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline (PubChem CID 70836414) has the molecular formula C48H30N2 and a molecular weight of 634.78 g/mol. Its IUPAC name is 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline.

Molecular Properties

Compound Name4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
PubChem CID70836414
Molecular FormulaC48H30N2
Molecular Weight634.78 g/mol
Exact Mass634.24
IUPAC Name4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline
SMILESc1ccc2cc(-c3cc4c(-c5ccc6ccccc6c5)cc(-c5ccc(-c6ccnc7ccccc67)cc5)nc4c4ccccc34)ccc2c1
InChIInChI=1S/C48H30N2/c1-3-11-35-27-37(23-17-31(35)9-1)43-29-45-44(38-24-18-32-10-2-4-12-36(32)28-38)30-47(50-48(45)42-15-6-5-13-40(42)43)34-21-19-33(20-22-34)39-25-26-49-46-16-8-7-14-41(39)46/h1-30H
InChIKeyPTROXVUHKQSDIS-UHFFFAOYSA-N
XLogP12.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.78
LogP ≤ 512.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2,6-dinaphthalen-2-yl-4-pyridinyl)phenyl]quinoline
CID 122427626
4-naphthalen-2-ylquinoline
CID 14173372
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
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
4,6-dinaphthalen-2-yl-2-(4-phenanthridin-6-ylphenyl)benzo[h]quinoline
CID 70958804
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958913
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
2-[4-(2,6-dinaphthalen-2-ylbenzo[h]quinolin-4-yl)phenyl]-1,3-benzoxazole
CID 70958718
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-bis(4-phenylphenyl)benzo[h]quinoline
CID 70836400
6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958981
4-[4-[4-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 130264401
4-[4-[2-[4-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130265040

Frequently Asked Questions

What is the IUPAC name of 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline?
The IUPAC name of 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline (CID 70836414) is 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline.
What is the SMILES notation for 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline?
The canonical SMILES for 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline is c1ccc2cc(-c3cc4c(-c5ccc6ccccc6c5)cc(-c5ccc(-c6ccnc7ccccc67)cc5)nc4c4ccccc34)ccc2c1.
What is the InChIKey of 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline?
The InChIKey is PTROXVUHKQSDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2/c1-3-11-35-27-37(23-17-31(35)9-1)43-29-45-44(38-24-18-32-10-2-4-12-36(32)28-38)30-47(50-48(45)42-15-6-5-13-40(42)43)34-21-19-33(20-22-34)39-25-26-49-46-16-8-7-14-41(39)46/h1-30H.
What are the key properties of 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline?
4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline has a molecular weight of 634.78 g/mol, XLogP of 12.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dinaphthalen-2-yl-2-(4-quinolin-4-ylphenyl)benzo[h]quinoline is sourced from PubChem (CID 70836414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).