6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline

C37H23N — CID 151204837

IUPAC6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
SMILESc1ccc2cc(-c3cc4c(cc(-c5ccc6ccccc6c5)c5cccnc54)c4ccccc34)ccc2c1
InChIInChI=1S/C37H23N/c1-3-10-26-20-28(17-15-24(26)8-1)33-23-36-35(31-13-6-5-12-30(31)33)22-34(32-14-7-19-38-37(32)36)29-18-16-25-9-2-4-11-27(25)21-29/h1-23H
InChIKeyNJBFOLBNRUWDQG-UHFFFAOYSA-N
MW481.60 g/mol
LogP10.18
Rot. Bonds2

About 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline

6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline (PubChem CID 151204837) has the molecular formula C37H23N and a molecular weight of 481.60 g/mol. Its IUPAC name is 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline.

Molecular Properties

Compound Name6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
PubChem CID151204837
Molecular FormulaC37H23N
Molecular Weight481.60 g/mol
Exact Mass481.18
IUPAC Name6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline
SMILESc1ccc2cc(-c3cc4c(cc(-c5ccc6ccccc6c5)c5cccnc54)c4ccccc34)ccc2c1
InChIInChI=1S/C37H23N/c1-3-10-26-20-28(17-15-24(26)8-1)33-23-36-35(31-13-6-5-12-30(31)33)22-34(32-14-7-19-38-37(32)36)29-18-16-25-9-2-4-11-27(25)21-29/h1-23H
InChIKeyNJBFOLBNRUWDQG-UHFFFAOYSA-N
XLogP10.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6,12-di(phenanthren-9-yl)quinolino[8,7-h]quinoline
CID 88544757
naphthalen-2-yl-(4-naphtho[1,2-h]quinolin-12-ylphenyl)-phenyl-selanylidene-λ5-phosphane
CID 165025890
6-naphthalen-2-yl-12-(3-naphthalen-2-ylphenyl)chrysene
CID 59399025
5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
CID 58323929
2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
5-[3-fluoro-4-[4-[2-fluoro-4-(1,10-phenanthrolin-5-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484545
15,15-dimethyl-18-naphthalen-2-yl-2,23-diazahexacyclo[12.11.0.03,12.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19(24),20,22-dodecaene
CID 118489074
10,21-dinaphthalen-2-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaene
CID 59629389
2-naphthalen-2-yl-6,12-di(phenanthren-2-yl)chrysene
CID 58511683
4-[3-[4-naphthalen-2-yl-6-[3-(1,10-phenanthrolin-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 137484515
benzo[h]quinoline;naphthalene
CID 175017782
naphtho[2,3-f][1,10]phenanthroline
CID 15381524

Frequently Asked Questions

What is the IUPAC name of 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline?
The IUPAC name of 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline (CID 151204837) is 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline.
What is the SMILES notation for 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline?
The canonical SMILES for 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline is c1ccc2cc(-c3cc4c(cc(-c5ccc6ccccc6c5)c5cccnc54)c4ccccc34)ccc2c1.
What is the InChIKey of 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline?
The InChIKey is NJBFOLBNRUWDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N/c1-3-10-26-20-28(17-15-24(26)8-1)33-23-36-35(31-13-6-5-12-30(31)33)22-34(32-14-7-19-38-37(32)36)29-18-16-25-9-2-4-11-27(25)21-29/h1-23H.
What are the key properties of 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline?
6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline has a molecular weight of 481.60 g/mol, XLogP of 10.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-dinaphthalen-2-ylnaphtho[1,2-h]quinoline is sourced from PubChem (CID 151204837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).