12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline

C30H17BrN2 — CID 141398114

IUPAC12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline
SMILESBrc1ccc2nc3c4ccccc4c4ccccc4c3c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C30H17BrN2/c31-19-14-16-26-24(17-19)28(27-15-13-18-7-1-6-12-25(18)32-27)29-22-10-4-2-8-20(22)21-9-3-5-11-23(21)30(29)33-26/h1-17H
InChIKeyDAOFQOWNEAXHKD-UHFFFAOYSA-N
MW485.38 g/mol
LogP8.67
Rot. Bonds1

About 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline

12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline (PubChem CID 141398114) has the molecular formula C30H17BrN2 and a molecular weight of 485.38 g/mol. Its IUPAC name is 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline.

Molecular Properties

Compound Name12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline
PubChem CID141398114
Molecular FormulaC30H17BrN2
Molecular Weight485.38 g/mol
Exact Mass484.06
IUPAC Name12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline
SMILESBrc1ccc2nc3c4ccccc4c4ccccc4c3c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C30H17BrN2/c31-19-14-16-26-24(17-19)28(27-15-13-18-7-1-6-12-25(18)32-27)29-22-10-4-2-8-20(22)21-9-3-5-11-23(21)30(29)33-26/h1-17H
InChIKeyDAOFQOWNEAXHKD-UHFFFAOYSA-N
XLogP8.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.38
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Dibenz(a,j)acridine
CID 9177
DIBENZ(a,h)ACRIDINE
CID 9183
Dibenz(a,c)acridine
CID 9165
7,9-Dimethylbenz(c)acridine
CID 13757
3-Bromo-5-(2-methylquinolin-7-yl)benzonitrile
CID 44432681
1,2,3,4,6,7-Tribenzophenazine
CID 136037
1,3-Diphenyl-benzo(F)quinoline
CID 3094016
7-Methyl-13-phenyl-12-aza-11-azoniapentacyclo[12.8.0.02,11.05,10.015,20]docosa-1,3,5(10),6,8,11,13,15,17,19,21-undecaene
CID 44269958
12-Phenylbenzo[b]acridine;hydrochloride
CID 137653286
BENZ(c)ACRIDINE, 9-METHYL-
CID 36632
2-Bromo-6-phenylphenanthridine
CID 242399
6-Bromo-2,4-diphenylquinoline
CID 632251

Frequently Asked Questions

What is the IUPAC name of 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline?
The IUPAC name of 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline (CID 141398114) is 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline.
What is the SMILES notation for 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline?
The canonical SMILES for 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline is Brc1ccc2nc3c4ccccc4c4ccccc4c3c(-c3ccc4ccccc4n3)c2c1.
What is the InChIKey of 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline?
The InChIKey is DAOFQOWNEAXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17BrN2/c31-19-14-16-26-24(17-19)28(27-15-13-18-7-1-6-12-25(18)32-27)29-22-10-4-2-8-20(22)21-9-3-5-11-23(21)30(29)33-26/h1-17H.
What are the key properties of 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline?
12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline has a molecular weight of 485.38 g/mol, XLogP of 8.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-bromo-14-quinolin-2-ylphenanthro[9,10-b]quinoline is sourced from PubChem (CID 141398114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).