5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline

C47H29N3 — CID 130354469

IUPAC5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4nc(-c5ccc(-c6cnc7ccccc7c6)nc5)ccc34)ccc2c1
InChIInChI=1S/C47H29N3/c1-3-11-32-25-35(19-17-30(32)9-1)45-39-14-6-7-15-40(39)46(36-20-18-31-10-2-4-12-33(31)26-36)47-41(45)22-24-44(50-47)37-21-23-43(48-28-37)38-27-34-13-5-8-16-42(34)49-29-38/h1-29H
InChIKeyNQFRWOAGSXIKOZ-UHFFFAOYSA-N
MW635.77 g/mol
LogP12.31
Rot. Bonds4

About 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline

5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline (PubChem CID 130354469) has the molecular formula C47H29N3 and a molecular weight of 635.77 g/mol. Its IUPAC name is 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline.

Molecular Properties

Compound Name5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline
PubChem CID130354469
Molecular FormulaC47H29N3
Molecular Weight635.77 g/mol
Exact Mass635.24
IUPAC Name5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline
SMILESc1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4nc(-c5ccc(-c6cnc7ccccc7c6)nc5)ccc34)ccc2c1
InChIInChI=1S/C47H29N3/c1-3-11-32-25-35(19-17-30(32)9-1)45-39-14-6-7-15-40(39)46(36-20-18-31-10-2-4-12-33(31)26-36)47-41(45)22-24-44(50-47)37-21-23-43(48-28-37)38-27-34-13-5-8-16-42(34)49-29-38/h1-29H
InChIKeyNQFRWOAGSXIKOZ-UHFFFAOYSA-N
XLogP12.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.77
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-2-yl-5-(10-naphthalen-2-ylanthracen-9-yl)pyridine
CID 121277468
5-(10-naphthalen-2-ylanthracen-9-yl)-2-[3-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]phenyl]pyridine
CID 174903865
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-5-phenylpyridine
CID 90361384
3-[5-(6-phenylnaphthalen-2-yl)-2-pyridinyl]quinoline
CID 170293247
3-[10-[4-[4-(10-quinolin-3-ylanthracen-9-yl)phenyl]phenyl]anthracen-9-yl]quinoline
CID 59861500
5-naphthalen-2-yl-2-(3-naphthalen-2-yl-10-phenanthren-2-ylanthracen-9-yl)pyridine
CID 89023620
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
2-naphthalen-2-yl-9-[3-(6-quinolin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
CID 134167446
6-[5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-2-pyridinyl]phenanthridine
CID 176819007
3-[5-[10-(6-methylnaphthalen-2-yl)-9-naphthalen-2-yl-6,7-dihydroanthracen-2-yl]-2-pyridinyl]quinoline
CID 142335647
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445819
3-[5-[7-(4-methylphenyl)naphthalen-2-yl]-2-pyridinyl]quinoline
CID 170293992

Frequently Asked Questions

What is the IUPAC name of 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline?
The IUPAC name of 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline (CID 130354469) is 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline.
What is the SMILES notation for 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline?
The canonical SMILES for 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline is c1ccc2cc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4nc(-c5ccc(-c6cnc7ccccc7c6)nc5)ccc34)ccc2c1.
What is the InChIKey of 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline?
The InChIKey is NQFRWOAGSXIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3/c1-3-11-32-25-35(19-17-30(32)9-1)45-39-14-6-7-15-40(39)46(36-20-18-31-10-2-4-12-33(31)26-36)47-41(45)22-24-44(50-47)37-21-23-43(48-28-37)38-27-34-13-5-8-16-42(34)49-29-38/h1-29H.
What are the key properties of 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline?
5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline has a molecular weight of 635.77 g/mol, XLogP of 12.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dinaphthalen-2-yl-2-(6-quinolin-3-yl-3-pyridinyl)benzo[g]quinoline is sourced from PubChem (CID 130354469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).